2-[(1S,2S,4S)-1-(aminomethyl)-2,4-dimethylcyclopentyl]acetic acid

C10H19NO2 — CID 20598296

IUPAC2-[(1S,2S,4S)-1-(aminomethyl)-2,4-dimethylcyclopentyl]acetic acid
SMILESC[C@H]1C[C@H](C)[C@@](CN)(CC(=O)O)C1
InChIInChI=1S/C10H19NO2/c1-7-3-8(2)10(4-7,6-11)5-9(12)13/h7-8H,3-6,11H2,1-2H3,(H,12,13)/t7-,8-,10+/m0/s1
InChIKeyMWRHUMWZFNDHGY-OYNCUSHFSA-N
MW185.27 g/mol
LogP1.47
Rot. Bonds3

About 2-[(1S,2S,4S)-1-(aminomethyl)-2,4-dimethylcyclopentyl]acetic acid

2-[(1S,2S,4S)-1-(aminomethyl)-2,4-dimethylcyclopentyl]acetic acid (PubChem CID 20598296) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-[(1S,2S,4S)-1-(aminomethyl)-2,4-dimethylcyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[(1S,2S,4S)-1-(aminomethyl)-2,4-dimethylcyclopentyl]acetic acid
PubChem CID20598296
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-[(1S,2S,4S)-1-(aminomethyl)-2,4-dimethylcyclopentyl]acetic acid
SMILESC[C@H]1C[C@H](C)[C@@](CN)(CC(=O)O)C1
InChIInChI=1S/C10H19NO2/c1-7-3-8(2)10(4-7,6-11)5-9(12)13/h7-8H,3-6,11H2,1-2H3,(H,12,13)/t7-,8-,10+/m0/s1
InChIKeyMWRHUMWZFNDHGY-OYNCUSHFSA-N
XLogP1.47
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(1S,2S,4S)-1-(aminomethyl)-2,4-dimethylcyclopentyl]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

Related Compounds

2-[(1S,2S)-1-(aminomethyl)-2-methylcyclobutyl]acetic acid
CID 57289063
2-[(3S)-1-(aminomethyl)-3-methylcyclopentyl]acetic acid
CID 46227593
2-[(1R)-1-amino-2-methylcyclopropyl]acetic acid
CID 171036084
2-[(1S,3S,5R,6S)-6-(aminomethyl)-3-fluoro-6-bicyclo[3.2.0]heptanyl]acetic acid
CID 129304310
2-[1-(aminomethyl)-3-methylcyclohexyl]acetic acid;hydrochloride
CID 45260252
2-[1-(1-aminoethyl)-3,5-dimethylcyclohexyl]acetic acid
CID 66098761
2-[(1R,5S,6S)-6-(aminomethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid
CID 142879958
2-[(1S,5S,6R)-6-(aminomethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid
CID 10330007
2-[(1S,6R)-6-(aminomethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid
CID 89366528
2-[(6S,7R)-7-(aminomethyl)-7-bicyclo[4.2.0]octanyl]acetic acid
CID 142181198
2-(4-hydroxy-3,5-dimethylthian-4-yl)acetic acid
CID 83908672
2-[(1S,7S,8S)-8-(aminomethyl)-8-bicyclo[5.2.0]nonanyl]acetic acid
CID 10242263

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S,4S)-1-(aminomethyl)-2,4-dimethylcyclopentyl]acetic acid?
The IUPAC name of 2-[(1S,2S,4S)-1-(aminomethyl)-2,4-dimethylcyclopentyl]acetic acid (CID 20598296) is 2-[(1S,2S,4S)-1-(aminomethyl)-2,4-dimethylcyclopentyl]acetic acid.
What is the SMILES notation for 2-[(1S,2S,4S)-1-(aminomethyl)-2,4-dimethylcyclopentyl]acetic acid?
The canonical SMILES for 2-[(1S,2S,4S)-1-(aminomethyl)-2,4-dimethylcyclopentyl]acetic acid is C[C@H]1C[C@H](C)[C@@](CN)(CC(=O)O)C1.
What is the InChIKey of 2-[(1S,2S,4S)-1-(aminomethyl)-2,4-dimethylcyclopentyl]acetic acid?
The InChIKey is MWRHUMWZFNDHGY-OYNCUSHFSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7-3-8(2)10(4-7,6-11)5-9(12)13/h7-8H,3-6,11H2,1-2H3,(H,12,13)/t7-,8-,10+/m0/s1.
What are the key properties of 2-[(1S,2S,4S)-1-(aminomethyl)-2,4-dimethylcyclopentyl]acetic acid?
2-[(1S,2S,4S)-1-(aminomethyl)-2,4-dimethylcyclopentyl]acetic acid has a molecular weight of 185.27 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S,4S)-1-(aminomethyl)-2,4-dimethylcyclopentyl]acetic acid is sourced from PubChem (CID 20598296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).