Mrv0541 05031415132D          

 10 10  0  0  0  0            999 V2000
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1018    1.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3272    1.9659    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6646    2.6656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9263    1.9947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  7  4  1  0  0  0  0
  7  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  6  2  0  0  0  0
 10  6  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM059225

> <DATABASE_NAME>
chemdb

> <SMILES>
NC1(CCCCC1)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C7H13NO2/c8-7(6(9)10)4-2-1-3-5-7/h1-5,8H2,(H,9,10)

> <INCHI_KEY>
WOXWUZCRWJWTRT-UHFFFAOYSA-N

> <FORMULA>
C7H13NO2

> <MOLECULAR_WEIGHT>
143.1836

> <EXACT_MASS>
143.094628665

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
15.07772667266025

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-aminocyclohexane-1-carboxylic acid

> <ALOGPS_LOGP>
-2.26

> <JCHEM_LOGP>
-1.3824455202126407

> <ALOGPS_LOGS>
-0.50

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.5651725232554874

> <JCHEM_PKA_STRONGEST_BASIC>
9.825359221511077

> <JCHEM_POLAR_SURFACE_AREA>
63.32000000000001

> <JCHEM_REFRACTIVITY>
37.0574

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.53e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-aminocyclohexane-1-carboxylic acid

> <JCHEM_VEBER_RULE>
0

> <NAME>
Cyclohexanecarboxylic acid, 1-amino-

> <CAS>
2756-85-6

> <SYNONYMS>
.alpha.-Aminocyclohexanecarboxylic acid; .alpha.-Aminocyclohexanecarboxylic aicd; 1-amino-1-cyclohexane carboxylic acid; 1-amino-1-cyclohexanecarboxylic acid; 1-Amino-1-CyclohexanecarboxylicAcid; 1-Amino-cyclohexanecarboxylic acid; 1-aminocyclo-hexane-1-carboxylic acid; 1-AMINOCYCLOHEXANE CARBOXYLIC ACID; 1-aminocyclohexane-1-carboxylic acid; 1-Aminocyclohexanecarboxylic acid; 1-aminocyclohexanecarboxylic acid hydrochloride; 1-Aminocyclohexanecarboxylicacid; 1-aminocyclohexyl-carboxylic acid; 1-ammonio-1-cyclohexanecarboxylate; 1-azaniumylcyclohexane-1-carboxylate; 1-azanylcyclohexane-1-carboxylic acid; 1H-imidazole, 2-ethyl-5-methyl-; 2355692; alpha-Aminocyclohexanecarboxylic acid; alpha-Aminocyclohexanecarboxylic aicd; Cyclohexanecarboxylic acid, 1-amino-; D-Homoserine Lactone hydrochloride; H-AC6C-OH; Homocycloleucine; TL8002216; UNII:1SE3HD391H; WOXWUZCRWJWTRT-UHFFFAOYSA-N; [104347-13-9]; [2756-85-6]

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