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

C18H23N3O4 — CID 119368330

IUPAC(2R)-2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-methylbutanoic acid
SMILESCC(C)[C@@H](NC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1)C(=O)O
InChIInChI=1S/C18H23N3O4/c1-10(2)15(17(23)24)20-16(22)11-7-8-14-13(9-11)19-18(25)21(14)12-5-3-4-6-12/h7-10,12,15H,3-6H2,1-2H3,(H,19,25)(H,20,22)(H,23,24)/t15-/m1/s1
InChIKeyUZVGGGXPICHIDW-OAHLLOKOSA-N
MW345.40 g/mol
LogP2.28
Rot. Bonds5

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

(2R)-2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-methylbutanoic acid (PubChem CID 119368330) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is (2R)-2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-methylbutanoic acid
PubChem CID119368330
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name(2R)-2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-methylbutanoic acid
SMILESCC(C)[C@@H](NC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1)C(=O)O
InChIInChI=1S/C18H23N3O4/c1-10(2)15(17(23)24)20-16(22)11-7-8-14-13(9-11)19-18(25)21(14)12-5-3-4-6-12/h7-10,12,15H,3-6H2,1-2H3,(H,19,25)(H,20,22)(H,23,24)/t15-/m1/s1
InChIKeyUZVGGGXPICHIDW-OAHLLOKOSA-N
XLogP2.28
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-methylbutanoic acid with MolForge

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Related Compounds

2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-methylpentanoic acid
CID 119212122
(2R)-2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-phenylpropanoic acid
CID 119366962
N,1-dicyclohexyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 3232123
cis-(1R,3S)-3-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120678804
1-cyclopentyl-2-oxo-N-piperidin-3-yl-3H-benzimidazole-5-carboxamide;hydrochloride
CID 119428553
1-cyclopentyl-N-(3-methylpiperidin-4-yl)-2-oxo-3H-benzimidazole-5-carboxamide
CID 120555427
methyl 1-cyclopropyl-2-oxo-3H-benzimidazole-5-carboxylate
CID 83415039
3-cyclopropyl-6-[2-(methylamino)acetyl]-1H-benzimidazol-2-one
CID 117365069
1-cyclohexyl-N-(2,3-dihydro-1H-inden-1-yl)-2-oxo-3H-benzimidazole-5-carboxamide
CID 3232129
6-[4-(1-aminoethyl)piperidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one;hydrochloride
CID 119520393
1-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 71170291
N-(3-amino-4-methylpentyl)-1-cyclopentyl-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 119660783

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-methylbutanoic acid?
The IUPAC name of (2R)-2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-methylbutanoic acid (CID 119368330) is (2R)-2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-methylbutanoic acid is CC(C)[C@@H](NC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1)C(=O)O.
What is the InChIKey of (2R)-2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-methylbutanoic acid?
The InChIKey is UZVGGGXPICHIDW-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-10(2)15(17(23)24)20-16(22)11-7-8-14-13(9-11)19-18(25)21(14)12-5-3-4-6-12/h7-10,12,15H,3-6H2,1-2H3,(H,19,25)(H,20,22)(H,23,24)/t15-/m1/s1.
What are the key properties of (2R)-2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-methylbutanoic acid?
(2R)-2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-methylbutanoic acid has a molecular weight of 345.40 g/mol, XLogP of 2.28, 5 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-methylbutanoic acid is sourced from PubChem (CID 119368330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).