(2R)-3-(benzimidazol-1-yl)-2-methylpropanoic acid

C11H12N2O2 — CID 806595

IUPAC(2R)-3-(benzimidazol-1-yl)-2-methylpropanoic acid
SMILESC[C@H](Cn1cnc2ccccc21)C(=O)O
InChIInChI=1S/C11H12N2O2/c1-8(11(14)15)6-13-7-12-9-4-2-3-5-10(9)13/h2-5,7-8H,6H2,1H3,(H,14,15)/t8-/m1/s1
InChIKeyNIIJKDXDTQPYOQ-MRVPVSSYSA-N
MW204.23 g/mol
LogP1.76
Rot. Bonds3

About (2R)-3-(benzimidazol-1-yl)-2-methylpropanoic acid

(2R)-3-(benzimidazol-1-yl)-2-methylpropanoic acid (PubChem CID 806595) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is (2R)-3-(benzimidazol-1-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name(2R)-3-(benzimidazol-1-yl)-2-methylpropanoic acid
PubChem CID806595
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name(2R)-3-(benzimidazol-1-yl)-2-methylpropanoic acid
SMILESC[C@H](Cn1cnc2ccccc21)C(=O)O
InChIInChI=1S/C11H12N2O2/c1-8(11(14)15)6-13-7-12-9-4-2-3-5-10(9)13/h2-5,7-8H,6H2,1H3,(H,14,15)/t8-/m1/s1
InChIKeyNIIJKDXDTQPYOQ-MRVPVSSYSA-N
XLogP1.76
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(benzimidazol-1-yl)-2-methylpropanamide
CID 112688309
2-acetamido-3-(benzimidazol-1-yl)propanoic acid
CID 64583290
1-(benzimidazol-1-yl)propan-2-ol
CID 22504258
(3S,4R)-5-(benzimidazol-1-yl)-4-hydroxy-3-methylpentan-2-one
CID 166448813
4-[[2-(benzimidazol-1-yl)acetyl]amino]-2-methylbutanoic acid
CID 80538626
(2R)-3-(5,6-dimethylbenzimidazol-1-yl)-2-methylpropanoic acid
CID 51704130
methyl 3-(benzimidazol-1-yl)-2-phenylpropanoate
CID 64567462
methyl 2-amino-3-(benzimidazol-1-yl)propanoate
CID 20794416
1-(benzimidazol-1-yl)butan-2-ol
CID 53276318
3-(benzimidazol-1-yl)-N-[(2-hydroxyphenyl)methylideneamino]-2-methylpropanamide
CID 3775209
3-(benzimidazol-1-yl)-N-[(4-bromophenyl)methylideneamino]-2-methylpropanamide
CID 3778070
3-(benzimidazol-1-yl)-2-methyl-N-(thiophen-2-ylmethylideneamino)propanamide
CID 4164331

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(benzimidazol-1-yl)-2-methylpropanoic acid?
The IUPAC name of (2R)-3-(benzimidazol-1-yl)-2-methylpropanoic acid (CID 806595) is (2R)-3-(benzimidazol-1-yl)-2-methylpropanoic acid.
What is the SMILES notation for (2R)-3-(benzimidazol-1-yl)-2-methylpropanoic acid?
The canonical SMILES for (2R)-3-(benzimidazol-1-yl)-2-methylpropanoic acid is C[C@H](Cn1cnc2ccccc21)C(=O)O.
What is the InChIKey of (2R)-3-(benzimidazol-1-yl)-2-methylpropanoic acid?
The InChIKey is NIIJKDXDTQPYOQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-8(11(14)15)6-13-7-12-9-4-2-3-5-10(9)13/h2-5,7-8H,6H2,1H3,(H,14,15)/t8-/m1/s1.
What are the key properties of (2R)-3-(benzimidazol-1-yl)-2-methylpropanoic acid?
(2R)-3-(benzimidazol-1-yl)-2-methylpropanoic acid has a molecular weight of 204.23 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(benzimidazol-1-yl)-2-methylpropanoic acid is sourced from PubChem (CID 806595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).