(3S)-3-(aminomethyl)cyclohexane-1-carboxylic acid

C8H15NO2 — CID 172529377

IUPAC(3S)-3-(aminomethyl)cyclohexane-1-carboxylic acid
SMILESNC[C@H]1CCCC(C(=O)O)C1
InChIInChI=1S/C8H15NO2/c9-5-6-2-1-3-7(4-6)8(10)11/h6-7H,1-5,9H2,(H,10,11)/t6-,7?/m0/s1
InChIKeyLYRQHZCLXXBANV-PKPIPKONSA-N
MW157.21 g/mol
LogP0.84
Rot. Bonds2

About (3S)-3-(aminomethyl)cyclohexane-1-carboxylic acid

(3S)-3-(aminomethyl)cyclohexane-1-carboxylic acid (PubChem CID 172529377) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (3S)-3-(aminomethyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name(3S)-3-(aminomethyl)cyclohexane-1-carboxylic acid
PubChem CID172529377
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(3S)-3-(aminomethyl)cyclohexane-1-carboxylic acid
SMILESNC[C@H]1CCCC(C(=O)O)C1
InChIInChI=1S/C8H15NO2/c9-5-6-2-1-3-7(4-6)8(10)11/h6-7H,1-5,9H2,(H,10,11)/t6-,7?/m0/s1
InChIKeyLYRQHZCLXXBANV-PKPIPKONSA-N
XLogP0.84
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3S)-3-(aminomethyl)cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-(1R,3R)-3-(aminomethyl)cyclohexane-1-carboxylic acid
CID 18632959
methyl 3-(aminomethyl)cyclohexane-1-carboxylate;hydrochloride
CID 154562144
(3S)-3-aminocyclohexane-1-carboxylic acid
CID 67383005
cyclohexane-1,3-dicarboxylic acid;hydrochloride
CID 66831314
[(1S,3S)-3-(aminomethyl)cyclohexyl]methanamine
CID 6951512
3-(aminomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)cyclohexane-1-carboxamide
CID 102871203
(1R,2S,4R)-4-(aminomethyl)-2-(2-hydroxyethyl)cyclohexane-1-carboxylic acid
CID 90873349
3-[2-amino-3-[[2-amino-3-(3-carboxycyclohexyl)propyl]disulfanyl]propyl]cyclohexane-1-carboxylic acid
CID 10071494
3-(aminomethyl)-N-propylcyclohexane-1-carboxamide
CID 62807267
3-(aminomethyl)-N-(3-ethyl-2-methylcyclopentyl)cyclohexane-1-carboxamide
CID 64915659
[3-(aminomethyl)cyclohexyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 55237424
N-(2-acetamidoethyl)-3-(aminomethyl)cyclohexane-1-carboxamide
CID 62806418

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(aminomethyl)cyclohexane-1-carboxylic acid?
The IUPAC name of (3S)-3-(aminomethyl)cyclohexane-1-carboxylic acid (CID 172529377) is (3S)-3-(aminomethyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for (3S)-3-(aminomethyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for (3S)-3-(aminomethyl)cyclohexane-1-carboxylic acid is NC[C@H]1CCCC(C(=O)O)C1.
What is the InChIKey of (3S)-3-(aminomethyl)cyclohexane-1-carboxylic acid?
The InChIKey is LYRQHZCLXXBANV-PKPIPKONSA-N. The full InChI is InChI=1S/C8H15NO2/c9-5-6-2-1-3-7(4-6)8(10)11/h6-7H,1-5,9H2,(H,10,11)/t6-,7?/m0/s1.
What are the key properties of (3S)-3-(aminomethyl)cyclohexane-1-carboxylic acid?
(3S)-3-(aminomethyl)cyclohexane-1-carboxylic acid has a molecular weight of 157.21 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(aminomethyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 172529377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).