(2R)-2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-phenylpropanoic acid

C22H23N3O4 — CID 119366962

IUPAC(2R)-2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-phenylpropanoic acid
SMILESO=C(N[C@H](Cc1ccccc1)C(=O)O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1
InChIInChI=1S/C22H23N3O4/c26-20(23-18(21(27)28)12-14-6-2-1-3-7-14)15-10-11-19-17(13-15)24-22(29)25(19)16-8-4-5-9-16/h1-3,6-7,10-11,13,16,18H,4-5,8-9,12H2,(H,23,26)(H,24,29)(H,27,28)/t18-/m1/s1
InChIKeyPANAXPHUBPQHJT-GOSISDBHSA-N
MW393.44 g/mol
LogP2.87
Rot. Bonds6

About (2R)-2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-phenylpropanoic acid

(2R)-2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-phenylpropanoic acid (PubChem CID 119366962) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is (2R)-2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-phenylpropanoic acid
PubChem CID119366962
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name(2R)-2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-phenylpropanoic acid
SMILESO=C(N[C@H](Cc1ccccc1)C(=O)O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1
InChIInChI=1S/C22H23N3O4/c26-20(23-18(21(27)28)12-14-6-2-1-3-7-14)15-10-11-19-17(13-15)24-22(29)25(19)16-8-4-5-9-16/h1-3,6-7,10-11,13,16,18H,4-5,8-9,12H2,(H,23,26)(H,24,29)(H,27,28)/t18-/m1/s1
InChIKeyPANAXPHUBPQHJT-GOSISDBHSA-N
XLogP2.87
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-methylbutanoic acid
CID 119368330
2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-methylpentanoic acid
CID 119212122
N,1-dicyclohexyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 3232123
1-cyclohexyl-N-[(3-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 6489617
cis-(1R,3S)-3-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120678804
2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 40881365
1-cyclohexyl-N-(2,3-dihydro-1H-inden-1-yl)-2-oxo-3H-benzimidazole-5-carboxamide
CID 3232129
1-cyclopentyl-2-oxo-N-piperidin-3-yl-3H-benzimidazole-5-carboxamide;hydrochloride
CID 119428553
2-[(1-methylindole-5-carbonyl)amino]-3-phenylpropanoic acid
CID 118985862
2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-phenylpropanoic acid
CID 120512153
1-[4-(benzylamino)cyclohexyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 22558089
3-cyclopropyl-6-[2-(methylamino)acetyl]-1H-benzimidazol-2-one
CID 117365069

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-phenylpropanoic acid (CID 119366962) is (2R)-2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-phenylpropanoic acid is O=C(N[C@H](Cc1ccccc1)C(=O)O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1.
What is the InChIKey of (2R)-2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-phenylpropanoic acid?
The InChIKey is PANAXPHUBPQHJT-GOSISDBHSA-N. The full InChI is InChI=1S/C22H23N3O4/c26-20(23-18(21(27)28)12-14-6-2-1-3-7-14)15-10-11-19-17(13-15)24-22(29)25(19)16-8-4-5-9-16/h1-3,6-7,10-11,13,16,18H,4-5,8-9,12H2,(H,23,26)(H,24,29)(H,27,28)/t18-/m1/s1.
What are the key properties of (2R)-2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-phenylpropanoic acid?
(2R)-2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-phenylpropanoic acid has a molecular weight of 393.44 g/mol, XLogP of 2.87, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 119366962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).