(2R)-2-[3-(cyclopentanecarbonylamino)butanoylamino]-2-phenylacetic acid

C18H24N2O4 — CID 119367850

IUPAC(2R)-2-[3-(cyclopentanecarbonylamino)butanoylamino]-2-phenylacetic acid
SMILESCC(CC(=O)N[C@@H](C(=O)O)c1ccccc1)NC(=O)C1CCCC1
InChIInChI=1S/C18H24N2O4/c1-12(19-17(22)14-9-5-6-10-14)11-15(21)20-16(18(23)24)13-7-3-2-4-8-13/h2-4,7-8,12,14,16H,5-6,9-11H2,1H3,(H,19,22)(H,20,21)(H,23,24)/t12?,16-/m1/s1
InChIKeyJRMIFGQLGZJVLU-PVQCJRHBSA-N
MW332.40 g/mol
LogP2.01
Rot. Bonds7

About (2R)-2-[3-(cyclopentanecarbonylamino)butanoylamino]-2-phenylacetic acid

(2R)-2-[3-(cyclopentanecarbonylamino)butanoylamino]-2-phenylacetic acid (PubChem CID 119367850) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is (2R)-2-[3-(cyclopentanecarbonylamino)butanoylamino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[3-(cyclopentanecarbonylamino)butanoylamino]-2-phenylacetic acid
PubChem CID119367850
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name(2R)-2-[3-(cyclopentanecarbonylamino)butanoylamino]-2-phenylacetic acid
SMILESCC(CC(=O)N[C@@H](C(=O)O)c1ccccc1)NC(=O)C1CCCC1
InChIInChI=1S/C18H24N2O4/c1-12(19-17(22)14-9-5-6-10-14)11-15(21)20-16(18(23)24)13-7-3-2-4-8-13/h2-4,7-8,12,14,16H,5-6,9-11H2,1H3,(H,19,22)(H,20,21)(H,23,24)/t12?,16-/m1/s1
InChIKeyJRMIFGQLGZJVLU-PVQCJRHBSA-N
XLogP2.01
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[3-(cyclopentanecarbonylamino)butanoylamino]-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

(2R)-2-(cyclooctanecarbonylamino)-2-phenylacetic acid
CID 65018923
4-[3-(cyclopentanecarbonylamino)butanoylamino]-4-phenylbutanoic acid
CID 119201424
(2R)-2-[3-(cyclopentanecarbonylamino)butanoylamino]propanoic acid
CID 119244671
(2R)-2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]-2-phenylacetic acid
CID 119368013
N-[4-[(2-hydroxy-3-phenylpropyl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 111102571
2-[(2-cycloheptylacetyl)amino]-2-phenylacetic acid
CID 115909766
(3R)-3-(cyclohexanecarbonylamino)butanoic acid
CID 51885508
ethane;2-phenyl-2-(propanoylamino)acetic acid
CID 169177605
methyl (3S)-3-[[(3R)-3-(cyclopentanecarbonylamino)butanoyl]amino]butanoate
CID 95609074
(2S)-2-[[(3S)-3-(cyclopentanecarbonylamino)butanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 97233904
(2S)-2-(oxane-4-carbonylamino)-2-phenylacetic acid
CID 28778740
N-[(2R)-4-[benzyl(ethyl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 95322825

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(cyclopentanecarbonylamino)butanoylamino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[3-(cyclopentanecarbonylamino)butanoylamino]-2-phenylacetic acid (CID 119367850) is (2R)-2-[3-(cyclopentanecarbonylamino)butanoylamino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[3-(cyclopentanecarbonylamino)butanoylamino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[3-(cyclopentanecarbonylamino)butanoylamino]-2-phenylacetic acid is CC(CC(=O)N[C@@H](C(=O)O)c1ccccc1)NC(=O)C1CCCC1.
What is the InChIKey of (2R)-2-[3-(cyclopentanecarbonylamino)butanoylamino]-2-phenylacetic acid?
The InChIKey is JRMIFGQLGZJVLU-PVQCJRHBSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-12(19-17(22)14-9-5-6-10-14)11-15(21)20-16(18(23)24)13-7-3-2-4-8-13/h2-4,7-8,12,14,16H,5-6,9-11H2,1H3,(H,19,22)(H,20,21)(H,23,24)/t12?,16-/m1/s1.
What are the key properties of (2R)-2-[3-(cyclopentanecarbonylamino)butanoylamino]-2-phenylacetic acid?
(2R)-2-[3-(cyclopentanecarbonylamino)butanoylamino]-2-phenylacetic acid has a molecular weight of 332.40 g/mol, XLogP of 2.01, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(cyclopentanecarbonylamino)butanoylamino]-2-phenylacetic acid is sourced from PubChem (CID 119367850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).