2-[[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]butanoic acid

C13H15N3O4 — CID 119223469

IUPAC2-[[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]butanoic acid
SMILESCCC(NC(=O)Cn1c(=O)[nH]c2ccccc21)C(=O)O
InChIInChI=1S/C13H15N3O4/c1-2-8(12(18)19)14-11(17)7-16-10-6-4-3-5-9(10)15-13(16)20/h3-6,8H,2,7H2,1H3,(H,14,17)(H,15,20)(H,18,19)
InChIKeyAQTCGHLMTOTTFU-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.31
Rot. Bonds5

About 2-[[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]butanoic acid

2-[[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]butanoic acid (PubChem CID 119223469) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-[[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]butanoic acid
PubChem CID119223469
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name2-[[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]butanoic acid
SMILESCCC(NC(=O)Cn1c(=O)[nH]c2ccccc21)C(=O)O
InChIInChI=1S/C13H15N3O4/c1-2-8(12(18)19)14-11(17)7-16-10-6-4-3-5-9(10)15-13(16)20/h3-6,8H,2,7H2,1H3,(H,14,17)(H,15,20)(H,18,19)
InChIKeyAQTCGHLMTOTTFU-UHFFFAOYSA-N
XLogP0.31
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]butanoic acid with MolForge

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Related Compounds

N-[(4-ethoxyphenyl)-phenylmethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 112841596
N-(2-hydroxypropyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 110898816
N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195295
2-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]butanoic acid
CID 119223783
2-(2-oxo-3H-benzimidazol-1-yl)-N-[1-(2H-tetrazol-5-yl)butyl]acetamide
CID 71920445
2-methyl-3-[methyl-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]propanoic acid
CID 119228065
N-[3-(aminomethyl)pentan-3-yl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide;hydrochloride
CID 119571777
2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-(1-phenylethyl)acetamide
CID 113195349
2-[(2-indol-1-ylacetyl)amino]butanoic acid
CID 119223861
N-(4-ethoxyphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195260
N-(3-chloro-2-methylphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195248
2-[(4-ethoxyphenyl)methyl]-3-[[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]propanoic acid
CID 119232018

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]butanoic acid?
The IUPAC name of 2-[[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]butanoic acid (CID 119223469) is 2-[[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]butanoic acid.
What is the SMILES notation for 2-[[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]butanoic acid?
The canonical SMILES for 2-[[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]butanoic acid is CCC(NC(=O)Cn1c(=O)[nH]c2ccccc21)C(=O)O.
What is the InChIKey of 2-[[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]butanoic acid?
The InChIKey is AQTCGHLMTOTTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-2-8(12(18)19)14-11(17)7-16-10-6-4-3-5-9(10)15-13(16)20/h3-6,8H,2,7H2,1H3,(H,14,17)(H,15,20)(H,18,19).
What are the key properties of 2-[[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]butanoic acid?
2-[[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]butanoic acid has a molecular weight of 277.28 g/mol, XLogP of 0.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]butanoic acid is sourced from PubChem (CID 119223469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).