2-[(1-methylbenzimidazol-2-yl)amino]propanoic acid

C11H13N3O2 — CID 83836910

IUPAC2-[(1-methylbenzimidazol-2-yl)amino]propanoic acid
SMILESCC(Nc1nc2ccccc2n1C)C(=O)O
InChIInChI=1S/C11H13N3O2/c1-7(10(15)16)12-11-13-8-5-3-4-6-9(8)14(11)2/h3-7H,1-2H3,(H,12,13)(H,15,16)
InChIKeyYDTXIEJTHZLTKP-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.46
Rot. Bonds3

About 2-[(1-methylbenzimidazol-2-yl)amino]propanoic acid

2-[(1-methylbenzimidazol-2-yl)amino]propanoic acid (PubChem CID 83836910) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-[(1-methylbenzimidazol-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(1-methylbenzimidazol-2-yl)amino]propanoic acid
PubChem CID83836910
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name2-[(1-methylbenzimidazol-2-yl)amino]propanoic acid
SMILESCC(Nc1nc2ccccc2n1C)C(=O)O
InChIInChI=1S/C11H13N3O2/c1-7(10(15)16)12-11-13-8-5-3-4-6-9(8)14(11)2/h3-7H,1-2H3,(H,12,13)(H,15,16)
InChIKeyYDTXIEJTHZLTKP-UHFFFAOYSA-N
XLogP1.46
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[(1-methylbenzimidazol-2-yl)amino]propanoic acid
CID 83841073
4,4-dimethyl-3-[(1-methylbenzimidazol-2-yl)amino]pentan-1-ol
CID 106350824
2-hydroxy-2-methyl-3-[(1-methylbenzimidazol-2-yl)amino]propanoic acid
CID 122060919
2,3-dimethyl-4-(1-methylbenzimidazol-2-yl)butanoic acid
CID 81009059
N-(1-methylbenzimidazol-2-yl)formamide
CID 142858770
2-[1-(1-methylbenzimidazol-2-yl)ethylamino]propanamide
CID 43545364
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 751118
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 4082682
N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline
CID 43190024
2-methyl-2-[(1-methylbenzimidazol-2-yl)amino]propan-1-ol
CID 923791
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751102
4-methyl-3-oxo-N-[(1R)-1-phenylethyl]quinoxaline-2-carboxamide
CID 92877606

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylbenzimidazol-2-yl)amino]propanoic acid?
The IUPAC name of 2-[(1-methylbenzimidazol-2-yl)amino]propanoic acid (CID 83836910) is 2-[(1-methylbenzimidazol-2-yl)amino]propanoic acid.
What is the SMILES notation for 2-[(1-methylbenzimidazol-2-yl)amino]propanoic acid?
The canonical SMILES for 2-[(1-methylbenzimidazol-2-yl)amino]propanoic acid is CC(Nc1nc2ccccc2n1C)C(=O)O.
What is the InChIKey of 2-[(1-methylbenzimidazol-2-yl)amino]propanoic acid?
The InChIKey is YDTXIEJTHZLTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-7(10(15)16)12-11-13-8-5-3-4-6-9(8)14(11)2/h3-7H,1-2H3,(H,12,13)(H,15,16).
What are the key properties of 2-[(1-methylbenzimidazol-2-yl)amino]propanoic acid?
2-[(1-methylbenzimidazol-2-yl)amino]propanoic acid has a molecular weight of 219.24 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylbenzimidazol-2-yl)amino]propanoic acid is sourced from PubChem (CID 83836910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).