2-amino-3-(benzimidazol-1-yl)-2-cyclopropylpropanoic acid

C13H15N3O2 — CID 63918720

IUPAC2-amino-3-(benzimidazol-1-yl)-2-cyclopropylpropanoic acid
SMILESNC(Cn1cnc2ccccc21)(C(=O)O)C1CC1
InChIInChI=1S/C13H15N3O2/c14-13(12(17)18,9-5-6-9)7-16-8-15-10-3-1-2-4-11(10)16/h1-4,8-9H,5-7,14H2,(H,17,18)
InChIKeyULCLBMDTWJNGLH-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.23
Rot. Bonds4

About 2-amino-3-(benzimidazol-1-yl)-2-cyclopropylpropanoic acid

2-amino-3-(benzimidazol-1-yl)-2-cyclopropylpropanoic acid (PubChem CID 63918720) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-amino-3-(benzimidazol-1-yl)-2-cyclopropylpropanoic acid.

Molecular Properties

Compound Name2-amino-3-(benzimidazol-1-yl)-2-cyclopropylpropanoic acid
PubChem CID63918720
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-amino-3-(benzimidazol-1-yl)-2-cyclopropylpropanoic acid
SMILESNC(Cn1cnc2ccccc21)(C(=O)O)C1CC1
InChIInChI=1S/C13H15N3O2/c14-13(12(17)18,9-5-6-9)7-16-8-15-10-3-1-2-4-11(10)16/h1-4,8-9H,5-7,14H2,(H,17,18)
InChIKeyULCLBMDTWJNGLH-UHFFFAOYSA-N
XLogP1.23
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzimidazol-1-yl)-2-cyclopropyl-2-(cyclopropylamino)propanoic acid
CID 63921664
3-(benzimidazol-1-yl)-2-cyclopropyl-2-(propylamino)propanoic acid
CID 63918915
4-(benzimidazol-1-ylmethyl)cyclohexane-1-carboxylic acid
CID 172582070
1-(benzimidazol-1-ylmethyl)piperidine-4-carboxamide
CID 2809739
1-[4-[2-(benzimidazol-1-yl)ethyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 18928760
2-(benzimidazol-1-yl)-N-benzyl-N-tert-butylacetamide
CID 78761759
2-(benzimidazol-1-yl)-N,N-dicyclohexylacetamide
CID 856407
3-(benzimidazol-1-yl)-2-methylpropanamide
CID 112688309
(2R)-3-(benzimidazol-1-yl)-2-methylpropanoic acid
CID 806595
4-(benzimidazol-1-yl)but-2-enoic acid
CID 76941121
2-amino-2-cyclopropyl-3-(4,5-dimethylimidazol-1-yl)propanamide
CID 63918935
1-[1-[2-(benzimidazol-1-yl)acetyl]azetidin-3-yl]piperidine-4-carboxamide
CID 121153996

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(benzimidazol-1-yl)-2-cyclopropylpropanoic acid?
The IUPAC name of 2-amino-3-(benzimidazol-1-yl)-2-cyclopropylpropanoic acid (CID 63918720) is 2-amino-3-(benzimidazol-1-yl)-2-cyclopropylpropanoic acid.
What is the SMILES notation for 2-amino-3-(benzimidazol-1-yl)-2-cyclopropylpropanoic acid?
The canonical SMILES for 2-amino-3-(benzimidazol-1-yl)-2-cyclopropylpropanoic acid is NC(Cn1cnc2ccccc21)(C(=O)O)C1CC1.
What is the InChIKey of 2-amino-3-(benzimidazol-1-yl)-2-cyclopropylpropanoic acid?
The InChIKey is ULCLBMDTWJNGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c14-13(12(17)18,9-5-6-9)7-16-8-15-10-3-1-2-4-11(10)16/h1-4,8-9H,5-7,14H2,(H,17,18).
What are the key properties of 2-amino-3-(benzimidazol-1-yl)-2-cyclopropylpropanoic acid?
2-amino-3-(benzimidazol-1-yl)-2-cyclopropylpropanoic acid has a molecular weight of 245.28 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(benzimidazol-1-yl)-2-cyclopropylpropanoic acid is sourced from PubChem (CID 63918720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).