2-[2-(benzimidazol-1-yl)propanoylamino]-2-cyclopropylacetic acid

C15H17N3O3 — CID 62697653

IUPAC2-[2-(benzimidazol-1-yl)propanoylamino]-2-cyclopropylacetic acid
SMILESCC(C(=O)NC(C(=O)O)C1CC1)n1cnc2ccccc21
InChIInChI=1S/C15H17N3O3/c1-9(14(19)17-13(15(20)21)10-6-7-10)18-8-16-11-4-2-3-5-12(11)18/h2-5,8-10,13H,6-7H2,1H3,(H,17,19)(H,20,21)
InChIKeyHNACDIDECNRSDT-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.58
Rot. Bonds5

About 2-[2-(benzimidazol-1-yl)propanoylamino]-2-cyclopropylacetic acid

2-[2-(benzimidazol-1-yl)propanoylamino]-2-cyclopropylacetic acid (PubChem CID 62697653) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[2-(benzimidazol-1-yl)propanoylamino]-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-[2-(benzimidazol-1-yl)propanoylamino]-2-cyclopropylacetic acid
PubChem CID62697653
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-[2-(benzimidazol-1-yl)propanoylamino]-2-cyclopropylacetic acid
SMILESCC(C(=O)NC(C(=O)O)C1CC1)n1cnc2ccccc21
InChIInChI=1S/C15H17N3O3/c1-9(14(19)17-13(15(20)21)10-6-7-10)18-8-16-11-4-2-3-5-12(11)18/h2-5,8-10,13H,6-7H2,1H3,(H,17,19)(H,20,21)
InChIKeyHNACDIDECNRSDT-UHFFFAOYSA-N
XLogP1.58
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzhydryl-2-(benzimidazol-1-yl)propanamide
CID 112781098
(2R)-2-(benzimidazol-1-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide
CID 39059871
N-[2-[2-(benzimidazol-1-yl)propanoylamino]ethyl]benzamide
CID 42959454
(2S)-2-(benzimidazol-1-yl)-N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propanamide
CID 95142229
(2S)-2-(benzimidazol-1-yl)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propanamide
CID 95142230
(2R)-2-(benzimidazol-1-yl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]propanamide
CID 125177370
(2S)-2-(benzimidazol-1-yl)-N-(4-oxo-1H-pyridin-3-yl)propanamide
CID 94151702
(2S)-2-(benzimidazol-1-yl)-N-prop-2-enylpropanamide
CID 39041110
2-(benzimidazol-1-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103855843
2-(benzimidazol-1-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 43063887
(2R)-2-(benzimidazol-1-yl)-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]propanamide
CID 99804213
3-(benzimidazol-1-yl)-2-methylbutanoic acid
CID 79391700

Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzimidazol-1-yl)propanoylamino]-2-cyclopropylacetic acid?
The IUPAC name of 2-[2-(benzimidazol-1-yl)propanoylamino]-2-cyclopropylacetic acid (CID 62697653) is 2-[2-(benzimidazol-1-yl)propanoylamino]-2-cyclopropylacetic acid.
What is the SMILES notation for 2-[2-(benzimidazol-1-yl)propanoylamino]-2-cyclopropylacetic acid?
The canonical SMILES for 2-[2-(benzimidazol-1-yl)propanoylamino]-2-cyclopropylacetic acid is CC(C(=O)NC(C(=O)O)C1CC1)n1cnc2ccccc21.
What is the InChIKey of 2-[2-(benzimidazol-1-yl)propanoylamino]-2-cyclopropylacetic acid?
The InChIKey is HNACDIDECNRSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-9(14(19)17-13(15(20)21)10-6-7-10)18-8-16-11-4-2-3-5-12(11)18/h2-5,8-10,13H,6-7H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 2-[2-(benzimidazol-1-yl)propanoylamino]-2-cyclopropylacetic acid?
2-[2-(benzimidazol-1-yl)propanoylamino]-2-cyclopropylacetic acid has a molecular weight of 287.32 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzimidazol-1-yl)propanoylamino]-2-cyclopropylacetic acid is sourced from PubChem (CID 62697653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).