2-[(3S)-1-(aminomethyl)-3-methylcyclopentyl]acetic acid

C9H17NO2 — CID 46227593

IUPAC2-[(3S)-1-(aminomethyl)-3-methylcyclopentyl]acetic acid
SMILESC[C@H]1CCC(CN)(CC(=O)O)C1
InChIInChI=1S/C9H17NO2/c1-7-2-3-9(4-7,6-10)5-8(11)12/h7H,2-6,10H2,1H3,(H,11,12)/t7-,9?/m0/s1
InChIKeyHYVKVSAZCPKHDV-JAVCKPHESA-N
MW171.24 g/mol
LogP1.23
Rot. Bonds3

About 2-[(3S)-1-(aminomethyl)-3-methylcyclopentyl]acetic acid

2-[(3S)-1-(aminomethyl)-3-methylcyclopentyl]acetic acid (PubChem CID 46227593) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-[(3S)-1-(aminomethyl)-3-methylcyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[(3S)-1-(aminomethyl)-3-methylcyclopentyl]acetic acid
PubChem CID46227593
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-[(3S)-1-(aminomethyl)-3-methylcyclopentyl]acetic acid
SMILESC[C@H]1CCC(CN)(CC(=O)O)C1
InChIInChI=1S/C9H17NO2/c1-7-2-3-9(4-7,6-10)5-8(11)12/h7H,2-6,10H2,1H3,(H,11,12)/t7-,9?/m0/s1
InChIKeyHYVKVSAZCPKHDV-JAVCKPHESA-N
XLogP1.23
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(3S)-1-(aminomethyl)-3-methylcyclopentyl]acetic 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 2-[(3S)-1-(aminomethyl)-3-methylcyclopentyl]acetic acid?
The IUPAC name of 2-[(3S)-1-(aminomethyl)-3-methylcyclopentyl]acetic acid (CID 46227593) is 2-[(3S)-1-(aminomethyl)-3-methylcyclopentyl]acetic acid.
What is the SMILES notation for 2-[(3S)-1-(aminomethyl)-3-methylcyclopentyl]acetic acid?
The canonical SMILES for 2-[(3S)-1-(aminomethyl)-3-methylcyclopentyl]acetic acid is C[C@H]1CCC(CN)(CC(=O)O)C1.
What is the InChIKey of 2-[(3S)-1-(aminomethyl)-3-methylcyclopentyl]acetic acid?
The InChIKey is HYVKVSAZCPKHDV-JAVCKPHESA-N. The full InChI is InChI=1S/C9H17NO2/c1-7-2-3-9(4-7,6-10)5-8(11)12/h7H,2-6,10H2,1H3,(H,11,12)/t7-,9?/m0/s1.
What are the key properties of 2-[(3S)-1-(aminomethyl)-3-methylcyclopentyl]acetic acid?
2-[(3S)-1-(aminomethyl)-3-methylcyclopentyl]acetic acid has a molecular weight of 171.24 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-(aminomethyl)-3-methylcyclopentyl]acetic acid is sourced from PubChem (CID 46227593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).