2-[(3R,4S)-1-(aminomethyl)-3,4-dimethylcyclopentyl]acetic acid

C10H19NO2 — CID 20598226

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

About 2-[(3R,4S)-1-(aminomethyl)-3,4-dimethylcyclopentyl]acetic acid

2-[(3R,4S)-1-(aminomethyl)-3,4-dimethylcyclopentyl]acetic acid (PubChem CID 20598226) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-[(3R,4S)-1-(aminomethyl)-3,4-dimethylcyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[(3R,4S)-1-(aminomethyl)-3,4-dimethylcyclopentyl]acetic acid
PubChem CID20598226
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-[(3R,4S)-1-(aminomethyl)-3,4-dimethylcyclopentyl]acetic acid
SMILESC[C@@H]1CC(CN)(CC(=O)O)C[C@@H]1C
InChIInChI=1S/C10H19NO2/c1-7-3-10(6-11,4-8(7)2)5-9(12)13/h7-8H,3-6,11H2,1-2H3,(H,12,13)/t7-,8+,10?
InChIKeyIUVMAUQEZFTTFB-JWHQNHQBSA-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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-1-(aminomethyl)-3,4-dimethylcyclopentyl]acetic acid?
The IUPAC name of 2-[(3R,4S)-1-(aminomethyl)-3,4-dimethylcyclopentyl]acetic acid (CID 20598226) is 2-[(3R,4S)-1-(aminomethyl)-3,4-dimethylcyclopentyl]acetic acid.
What is the SMILES notation for 2-[(3R,4S)-1-(aminomethyl)-3,4-dimethylcyclopentyl]acetic acid?
The canonical SMILES for 2-[(3R,4S)-1-(aminomethyl)-3,4-dimethylcyclopentyl]acetic acid is C[C@@H]1CC(CN)(CC(=O)O)C[C@@H]1C.
What is the InChIKey of 2-[(3R,4S)-1-(aminomethyl)-3,4-dimethylcyclopentyl]acetic acid?
The InChIKey is IUVMAUQEZFTTFB-JWHQNHQBSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7-3-10(6-11,4-8(7)2)5-9(12)13/h7-8H,3-6,11H2,1-2H3,(H,12,13)/t7-,8+,10?.
What are the key properties of 2-[(3R,4S)-1-(aminomethyl)-3,4-dimethylcyclopentyl]acetic acid?
2-[(3R,4S)-1-(aminomethyl)-3,4-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-[(3R,4S)-1-(aminomethyl)-3,4-dimethylcyclopentyl]acetic acid is sourced from PubChem (CID 20598226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).