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

C9H14N2O3 — CID 79207585

IUPAC2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)C1C=CC(N)C1)C(=O)O
InChIInChI=1S/C9H14N2O3/c1-5(9(13)14)11-8(12)6-2-3-7(10)4-6/h2-3,5-7H,4,10H2,1H3,(H,11,12)(H,13,14)
InChIKeyUYFNLJIIFULTGT-UHFFFAOYSA-N
MW198.22 g/mol
LogP-0.52
Rot. Bonds3

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

2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]propanoic acid (PubChem CID 79207585) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]propanoic acid
PubChem CID79207585
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)C1C=CC(N)C1)C(=O)O
InChIInChI=1S/C9H14N2O3/c1-5(9(13)14)11-8(12)6-2-3-7(10)4-6/h2-3,5-7H,4,10H2,1H3,(H,11,12)(H,13,14)
InChIKeyUYFNLJIIFULTGT-UHFFFAOYSA-N
XLogP-0.52
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-pentan-2-ylcyclopent-2-ene-1-carboxamide
CID 79211383
4-amino-N-(1,1-dimethoxypropan-2-yl)cyclopent-2-ene-1-carboxamide
CID 79207526
2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-3-methoxypropanoic acid
CID 81078810
4-amino-N-(1-phenylethyl)cyclopent-2-ene-1-carboxamide
CID 79210742
4-amino-N-(2-methylpentan-3-yl)cyclopent-2-ene-1-carboxamide
CID 79207896
4-amino-N-[(1S)-1-cyclopentylethyl]cyclopent-2-ene-1-carboxamide
CID 81390649
(2S)-2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-2-phenylacetic acid
CID 104898564
4-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclopent-2-ene-1-carboxamide
CID 79210528
4-amino-N-[1-(4-methylphenyl)ethyl]cyclopent-2-ene-1-carboxamide
CID 79210630
4-amino-N-[(1R)-1-pyridin-4-ylethyl]cyclopent-2-ene-1-carboxamide
CID 81410168
4-amino-N-(1-pyridin-4-ylethyl)cyclopent-2-ene-1-carboxamide
CID 79210601
4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclopent-2-ene-1-carboxamide
CID 107863124

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]propanoic acid (CID 79207585) is 2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]propanoic acid is CC(NC(=O)C1C=CC(N)C1)C(=O)O.
What is the InChIKey of 2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]propanoic acid?
The InChIKey is UYFNLJIIFULTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-5(9(13)14)11-8(12)6-2-3-7(10)4-6/h2-3,5-7H,4,10H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]propanoic acid?
2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]propanoic acid has a molecular weight of 198.22 g/mol, XLogP of -0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 79207585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).