(1R,4S)-4-aminocyclopent-2-ene-1-carboxylic acid

C6H9NO2 — CID 2734525

IUPAC(1R,4S)-4-aminocyclopent-2-ene-1-carboxylic acid
SMILESN[C@@H]1C=C[C@H](C(=O)O)C1
InChIInChI=1S/C6H9NO2/c7-5-2-1-4(3-5)6(8)9/h1-2,4-5H,3,7H2,(H,8,9)/t4-,5+/m0/s1
InChIKeyVTCHZFWYUPZZKL-CRCLSJGQSA-N
MW127.14 g/mol
LogP-0.03
Rot. Bonds1

About (1R,4S)-4-aminocyclopent-2-ene-1-carboxylic acid

(1R,4S)-4-aminocyclopent-2-ene-1-carboxylic acid (PubChem CID 2734525) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is (1R,4S)-4-aminocyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name(1R,4S)-4-aminocyclopent-2-ene-1-carboxylic acid
PubChem CID2734525
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name(1R,4S)-4-aminocyclopent-2-ene-1-carboxylic acid
SMILESN[C@@H]1C=C[C@H](C(=O)O)C1
InChIInChI=1S/C6H9NO2/c7-5-2-1-4(3-5)6(8)9/h1-2,4-5H,3,7H2,(H,8,9)/t4-,5+/m0/s1
InChIKeyVTCHZFWYUPZZKL-CRCLSJGQSA-N
XLogP-0.03
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1R,4S)-4-aminocyclopent-2-ene-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

4-Aminocyclopent-2-ene-1-carboxylic acid
CID 10034643
4-Amino-2-cyclopentene-1-carboxylic acid
CID 10171262
l-Dihydrophenylalanine
CID 27662
(1S,5S)-5-aminocyclohex-3-ene-1-carboxylic acid
CID 10419269
(1R,4S)-4-Amino-3-fluorocyclopent-2-ene-1-carboxylic acid
CID 16094596
(1R,4S)-4-amino-3-trifluoromethyl-cyclopent-2-ene carboxylic acid
CID 16094597
rac-(1R,5S)-5-aminocyclohex-3-ene-1-carboxylic acid
CID 10011990
(1R,2S)-2-aminocyclopent-3-ene-1-carboxylic acid
CID 5275638
(1S,4S)-4-Aminocyclopent-2-ene-1-carboxylic acid
CID 44361891
(S)-2-Amino-2-(cyclopent-3-en-1-yl)acetic acid
CID 10964605
(1R,4R)-4-aminocyclopent-2-ene-1-carboxylic acid
CID 7019279
4-Aminocyclopent-2-ene-1-carboxylic acid hydrochloride
CID 10171261

Frequently Asked Questions

What is the IUPAC name of (1R,4S)-4-aminocyclopent-2-ene-1-carboxylic acid?
The IUPAC name of (1R,4S)-4-aminocyclopent-2-ene-1-carboxylic acid (CID 2734525) is (1R,4S)-4-aminocyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for (1R,4S)-4-aminocyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for (1R,4S)-4-aminocyclopent-2-ene-1-carboxylic acid is N[C@@H]1C=C[C@H](C(=O)O)C1.
What is the InChIKey of (1R,4S)-4-aminocyclopent-2-ene-1-carboxylic acid?
The InChIKey is VTCHZFWYUPZZKL-CRCLSJGQSA-N. The full InChI is InChI=1S/C6H9NO2/c7-5-2-1-4(3-5)6(8)9/h1-2,4-5H,3,7H2,(H,8,9)/t4-,5+/m0/s1.
What are the key properties of (1R,4S)-4-aminocyclopent-2-ene-1-carboxylic acid?
(1R,4S)-4-aminocyclopent-2-ene-1-carboxylic acid has a molecular weight of 127.14 g/mol, XLogP of -0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-4-aminocyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 2734525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).