3-cyclopropyl-3-(1-methyl-2-oxo-3H-benzimidazol-5-yl)propanoic acid

C14H16N2O3 — CID 117404634

IUPAC3-cyclopropyl-3-(1-methyl-2-oxo-3H-benzimidazol-5-yl)propanoic acid
SMILESCn1c(=O)[nH]c2cc(C(CC(=O)O)C3CC3)ccc21
InChIInChI=1S/C14H16N2O3/c1-16-12-5-4-9(6-11(12)15-14(16)19)10(7-13(17)18)8-2-3-8/h4-6,8,10H,2-3,7H2,1H3,(H,15,19)(H,17,18)
InChIKeyPEICMDPTLJXBMA-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.83
Rot. Bonds4

About 3-cyclopropyl-3-(1-methyl-2-oxo-3H-benzimidazol-5-yl)propanoic acid

3-cyclopropyl-3-(1-methyl-2-oxo-3H-benzimidazol-5-yl)propanoic acid (PubChem CID 117404634) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-cyclopropyl-3-(1-methyl-2-oxo-3H-benzimidazol-5-yl)propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-(1-methyl-2-oxo-3H-benzimidazol-5-yl)propanoic acid
PubChem CID117404634
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name3-cyclopropyl-3-(1-methyl-2-oxo-3H-benzimidazol-5-yl)propanoic acid
SMILESCn1c(=O)[nH]c2cc(C(CC(=O)O)C3CC3)ccc21
InChIInChI=1S/C14H16N2O3/c1-16-12-5-4-9(6-11(12)15-14(16)19)10(7-13(17)18)8-2-3-8/h4-6,8,10H,2-3,7H2,1H3,(H,15,19)(H,17,18)
InChIKeyPEICMDPTLJXBMA-UHFFFAOYSA-N
XLogP1.83
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanoic acid
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ethyl 2-hydroxy-2-(1-methyl-2-oxo-3H-benzimidazol-5-yl)acetate
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CID 117314089
3-cyclopropyl-3-(4-fluoro-3-propan-2-ylphenyl)propanoic acid
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5-(2-carboxy-1-cyclopropylethyl)-2-methylbenzoic acid
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3-cyclopropyl-3-(3-pentan-3-ylphenyl)propanoic acid
CID 117405507
3-(3-chloro-4-methylphenyl)-3-cyclopropylpropanoic acid
CID 83824648
3-[3-chloro-4-(1-methylazetidin-3-yl)phenyl]-3-cyclopropylpropanoic acid
CID 117474023
3-cyclopropyl-3-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)propanoic acid
CID 117436278

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(1-methyl-2-oxo-3H-benzimidazol-5-yl)propanoic acid?
The IUPAC name of 3-cyclopropyl-3-(1-methyl-2-oxo-3H-benzimidazol-5-yl)propanoic acid (CID 117404634) is 3-cyclopropyl-3-(1-methyl-2-oxo-3H-benzimidazol-5-yl)propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-(1-methyl-2-oxo-3H-benzimidazol-5-yl)propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-(1-methyl-2-oxo-3H-benzimidazol-5-yl)propanoic acid is Cn1c(=O)[nH]c2cc(C(CC(=O)O)C3CC3)ccc21.
What is the InChIKey of 3-cyclopropyl-3-(1-methyl-2-oxo-3H-benzimidazol-5-yl)propanoic acid?
The InChIKey is PEICMDPTLJXBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-16-12-5-4-9(6-11(12)15-14(16)19)10(7-13(17)18)8-2-3-8/h4-6,8,10H,2-3,7H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 3-cyclopropyl-3-(1-methyl-2-oxo-3H-benzimidazol-5-yl)propanoic acid?
3-cyclopropyl-3-(1-methyl-2-oxo-3H-benzimidazol-5-yl)propanoic acid has a molecular weight of 260.29 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(1-methyl-2-oxo-3H-benzimidazol-5-yl)propanoic acid is sourced from PubChem (CID 117404634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).