(2S)-2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-2-phenylacetic acid

C14H16N2O3 — CID 104898564

IUPAC(2S)-2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-2-phenylacetic acid
SMILESNC1C=CC(C(=O)N[C@H](C(=O)O)c2ccccc2)C1
InChIInChI=1S/C14H16N2O3/c15-11-7-6-10(8-11)13(17)16-12(14(18)19)9-4-2-1-3-5-9/h1-7,10-12H,8,15H2,(H,16,17)(H,18,19)/t10?,11?,12-/m0/s1
InChIKeyUCZMZTFKOXMKFG-MCIGGMRASA-N
MW260.29 g/mol
LogP0.83
Rot. Bonds4

About (2S)-2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-2-phenylacetic acid

(2S)-2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-2-phenylacetic acid (PubChem CID 104898564) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is (2S)-2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-2-phenylacetic acid
PubChem CID104898564
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name(2S)-2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-2-phenylacetic acid
SMILESNC1C=CC(C(=O)N[C@H](C(=O)O)c2ccccc2)C1
InChIInChI=1S/C14H16N2O3/c15-11-7-6-10(8-11)13(17)16-12(14(18)19)9-4-2-1-3-5-9/h1-7,10-12H,8,15H2,(H,16,17)(H,18,19)/t10?,11?,12-/m0/s1
InChIKeyUCZMZTFKOXMKFG-MCIGGMRASA-N
XLogP0.83
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-2-phenylacetic 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-amino-N-(1-phenylethyl)cyclopent-2-ene-1-carboxamide
CID 79210742
4-amino-N-[phenyl(thiophen-2-yl)methyl]cyclopent-2-ene-1-carboxamide
CID 79209714
(2S)-2-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]-2-phenylacetic acid
CID 104898576
2-[(2-aminocyclopentanecarbonyl)amino]-2-phenylacetic acid
CID 64822644
2-[[(3R,5S)-3,5-bis[(2-methoxy-2-oxo-1-phenylethyl)carbamoyl]cyclohexanecarbonyl]amino]-2-phenylacetic acid
CID 122202039
4-amino-N-[1-(4-methylphenyl)ethyl]cyclopent-2-ene-1-carboxamide
CID 79210630
4-amino-N-[(1R)-1-(2-bromophenyl)ethyl]cyclopent-2-ene-1-carboxamide
CID 81397672
(2R)-2-(cyclooctanecarbonylamino)-2-phenylacetic acid
CID 65018923
(2R)-2-[(2-cyclopropylcyclopropanecarbonyl)amino]-2-phenylacetic acid
CID 119367879
4-amino-N-(1-pyridin-4-ylethyl)cyclopent-2-ene-1-carboxamide
CID 79210601
4-amino-N-[(1R)-1-pyridin-4-ylethyl]cyclopent-2-ene-1-carboxamide
CID 81410168
2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-3-methoxypropanoic acid
CID 81078810

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-2-phenylacetic acid?
The IUPAC name of (2S)-2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-2-phenylacetic acid (CID 104898564) is (2S)-2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-2-phenylacetic acid?
The canonical SMILES for (2S)-2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-2-phenylacetic acid is NC1C=CC(C(=O)N[C@H](C(=O)O)c2ccccc2)C1.
What is the InChIKey of (2S)-2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-2-phenylacetic acid?
The InChIKey is UCZMZTFKOXMKFG-MCIGGMRASA-N. The full InChI is InChI=1S/C14H16N2O3/c15-11-7-6-10(8-11)13(17)16-12(14(18)19)9-4-2-1-3-5-9/h1-7,10-12H,8,15H2,(H,16,17)(H,18,19)/t10?,11?,12-/m0/s1.
What are the key properties of (2S)-2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-2-phenylacetic acid?
(2S)-2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-2-phenylacetic acid has a molecular weight of 260.29 g/mol, XLogP of 0.83, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 104898564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).