4-[[(2R)-2-amino-2-phenylacetyl]amino]cyclopent-2-ene-1-carboxylic acid

C14H16N2O3 — CID 79209810

IUPAC4-[[(2R)-2-amino-2-phenylacetyl]amino]cyclopent-2-ene-1-carboxylic acid
SMILESN[C@@H](C(=O)NC1C=CC(C(=O)O)C1)c1ccccc1
InChIInChI=1S/C14H16N2O3/c15-12(9-4-2-1-3-5-9)13(17)16-11-7-6-10(8-11)14(18)19/h1-7,10-12H,8,15H2,(H,16,17)(H,18,19)/t10?,11?,12-/m1/s1
InChIKeyKNUJLNNSFWGWSX-HTAVTVPLSA-N
MW260.29 g/mol
LogP0.83
Rot. Bonds4

About 4-[[(2R)-2-amino-2-phenylacetyl]amino]cyclopent-2-ene-1-carboxylic acid

4-[[(2R)-2-amino-2-phenylacetyl]amino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 79209810) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-[[(2R)-2-amino-2-phenylacetyl]amino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(2R)-2-amino-2-phenylacetyl]amino]cyclopent-2-ene-1-carboxylic acid
PubChem CID79209810
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name4-[[(2R)-2-amino-2-phenylacetyl]amino]cyclopent-2-ene-1-carboxylic acid
SMILESN[C@@H](C(=O)NC1C=CC(C(=O)O)C1)c1ccccc1
InChIInChI=1S/C14H16N2O3/c15-12(9-4-2-1-3-5-9)13(17)16-11-7-6-10(8-11)14(18)19/h1-7,10-12H,8,15H2,(H,16,17)(H,18,19)/t10?,11?,12-/m1/s1
InChIKeyKNUJLNNSFWGWSX-HTAVTVPLSA-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 4-[[(2R)-2-amino-2-phenylacetyl]amino]cyclopent-2-ene-1-carboxylic acid with MolForge

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Related Compounds

2-amino-N-(4-aminocyclohexyl)-2-phenylacetamide
CID 62320729
(2R)-2-amino-N-cycloheptyl-2-phenylacetamide
CID 61148121
(2S)-2-amino-2-phenyl-N-(2-phenylcyclopropyl)acetamide
CID 104897747
2-amino-2-phenyl-N-(thiolan-3-yl)acetamide
CID 103797147
2-amino-2-phenyl-N-piperidin-4-ylacetamide
CID 110463053
4-(3-phenylprop-2-enoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79209369
2-amino-N-(3-hydroxycyclohexyl)-2-phenylacetamide
CID 43696117
4-[(4-amino-2-methylbutanoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 80545224
4-[(2-amino-4-methylsulfonylbutanoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79216208
(2R)-2-amino-2-phenyl-N-(2,2,3,3-tetramethylcyclopropyl)acetamide
CID 79362692
(2S)-2-amino-N-methyl-2-phenylacetamide;hydrochloride
CID 68552126
(2R)-2-amino-N-(3-methylcyclohexyl)-2-phenylacetamide
CID 61156405

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-amino-2-phenylacetyl]amino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-[[(2R)-2-amino-2-phenylacetyl]amino]cyclopent-2-ene-1-carboxylic acid (CID 79209810) is 4-[[(2R)-2-amino-2-phenylacetyl]amino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[[(2R)-2-amino-2-phenylacetyl]amino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[[(2R)-2-amino-2-phenylacetyl]amino]cyclopent-2-ene-1-carboxylic acid is N[C@@H](C(=O)NC1C=CC(C(=O)O)C1)c1ccccc1.
What is the InChIKey of 4-[[(2R)-2-amino-2-phenylacetyl]amino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is KNUJLNNSFWGWSX-HTAVTVPLSA-N. The full InChI is InChI=1S/C14H16N2O3/c15-12(9-4-2-1-3-5-9)13(17)16-11-7-6-10(8-11)14(18)19/h1-7,10-12H,8,15H2,(H,16,17)(H,18,19)/t10?,11?,12-/m1/s1.
What are the key properties of 4-[[(2R)-2-amino-2-phenylacetyl]amino]cyclopent-2-ene-1-carboxylic acid?
4-[[(2R)-2-amino-2-phenylacetyl]amino]cyclopent-2-ene-1-carboxylic 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 4-[[(2R)-2-amino-2-phenylacetyl]amino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79209810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).