(2S)-2-amino-2-cyclohexylacetic acid

C8H15NO2 — CID 736848

IUPAC(2S)-2-amino-2-cyclohexylacetic acid
SMILESN[C@H](C(=O)O)C1CCCCC1
InChIInChI=1S/C8H15NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h6-7H,1-5,9H2,(H,10,11)/t7-/m0/s1
InChIKeyWAMWSIDTKSNDCU-ZETCQYMHSA-N
MW157.21 g/mol
LogP0.98
Rot. Bonds2

About (2S)-2-amino-2-cyclohexylacetic acid

(2S)-2-amino-2-cyclohexylacetic acid (PubChem CID 736848) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (2S)-2-amino-2-cyclohexylacetic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-cyclohexylacetic acid
PubChem CID736848
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(2S)-2-amino-2-cyclohexylacetic acid
SMILESN[C@H](C(=O)O)C1CCCCC1
InChIInChI=1S/C8H15NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h6-7H,1-5,9H2,(H,10,11)/t7-/m0/s1
InChIKeyWAMWSIDTKSNDCU-ZETCQYMHSA-N
XLogP0.98
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 ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-amino-2-cyclohexylacetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-cyclohexylacetic acid?
The IUPAC name of (2S)-2-amino-2-cyclohexylacetic acid (CID 736848) is (2S)-2-amino-2-cyclohexylacetic acid.
What is the SMILES notation for (2S)-2-amino-2-cyclohexylacetic acid?
The canonical SMILES for (2S)-2-amino-2-cyclohexylacetic acid is N[C@H](C(=O)O)C1CCCCC1.
What is the InChIKey of (2S)-2-amino-2-cyclohexylacetic acid?
The InChIKey is WAMWSIDTKSNDCU-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H15NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h6-7H,1-5,9H2,(H,10,11)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-2-cyclohexylacetic acid?
(2S)-2-amino-2-cyclohexylacetic acid has a molecular weight of 157.21 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-cyclohexylacetic acid is sourced from PubChem (CID 736848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).