2-[methyl-[3-(4-methyl-1H-benzimidazol-2-yl)propanoyl]amino]propanoic acid

C15H19N3O3 — CID 119358657

IUPAC2-[methyl-[3-(4-methyl-1H-benzimidazol-2-yl)propanoyl]amino]propanoic acid
SMILESCc1cccc2[nH]c(CCC(=O)N(C)C(C)C(=O)O)nc12
InChIInChI=1S/C15H19N3O3/c1-9-5-4-6-11-14(9)17-12(16-11)7-8-13(19)18(3)10(2)15(20)21/h4-6,10H,7-8H2,1-3H3,(H,16,17)(H,20,21)
InChIKeyPRZGGXUMRSBRJQ-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.74
Rot. Bonds5

About 2-[methyl-[3-(4-methyl-1H-benzimidazol-2-yl)propanoyl]amino]propanoic acid

2-[methyl-[3-(4-methyl-1H-benzimidazol-2-yl)propanoyl]amino]propanoic acid (PubChem CID 119358657) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-[methyl-[3-(4-methyl-1H-benzimidazol-2-yl)propanoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-[3-(4-methyl-1H-benzimidazol-2-yl)propanoyl]amino]propanoic acid
PubChem CID119358657
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name2-[methyl-[3-(4-methyl-1H-benzimidazol-2-yl)propanoyl]amino]propanoic acid
SMILESCc1cccc2[nH]c(CCC(=O)N(C)C(C)C(=O)O)nc12
InChIInChI=1S/C15H19N3O3/c1-9-5-4-6-11-14(9)17-12(16-11)7-8-13(19)18(3)10(2)15(20)21/h4-6,10H,7-8H2,1-3H3,(H,16,17)(H,20,21)
InChIKeyPRZGGXUMRSBRJQ-UHFFFAOYSA-N
XLogP1.74
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(4-methyl-1H-benzimidazol-2-yl)propanamide
CID 119654740
N-(3-aminobutyl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide
CID 119497235
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-methyl-1H-benzimidazol-2-yl)propanamide
CID 119607252
5-(4-methyl-1H-benzimidazol-2-yl)pentan-2-amine
CID 82846263
N-methyl-1-(4-methyl-1H-benzimidazol-2-yl)-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]methanamine
CID 58884472
3-[(2R)-2-methoxypropyl]-1-methyl-1-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]urea
CID 125437978
1-[3-(4-methyl-1H-benzimidazol-2-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119356105
N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]propane-2-sulfonamide
CID 131929792
2-(2-methoxyethyl)-4-methyl-1H-benzimidazole
CID 64722498
butanedioic acid;2,4-dimethyl-1H-benzimidazole
CID 159349051
N-methyl-2-(4-methyl-1H-benzimidazol-2-yl)ethanamine
CID 26722492
1,1,3,3-tetramethyl-2-[(4-methyl-1H-benzimidazol-2-yl)methyl]guanidine
CID 86781685

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[3-(4-methyl-1H-benzimidazol-2-yl)propanoyl]amino]propanoic acid?
The IUPAC name of 2-[methyl-[3-(4-methyl-1H-benzimidazol-2-yl)propanoyl]amino]propanoic acid (CID 119358657) is 2-[methyl-[3-(4-methyl-1H-benzimidazol-2-yl)propanoyl]amino]propanoic acid.
What is the SMILES notation for 2-[methyl-[3-(4-methyl-1H-benzimidazol-2-yl)propanoyl]amino]propanoic acid?
The canonical SMILES for 2-[methyl-[3-(4-methyl-1H-benzimidazol-2-yl)propanoyl]amino]propanoic acid is Cc1cccc2[nH]c(CCC(=O)N(C)C(C)C(=O)O)nc12.
What is the InChIKey of 2-[methyl-[3-(4-methyl-1H-benzimidazol-2-yl)propanoyl]amino]propanoic acid?
The InChIKey is PRZGGXUMRSBRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-9-5-4-6-11-14(9)17-12(16-11)7-8-13(19)18(3)10(2)15(20)21/h4-6,10H,7-8H2,1-3H3,(H,16,17)(H,20,21).
What are the key properties of 2-[methyl-[3-(4-methyl-1H-benzimidazol-2-yl)propanoyl]amino]propanoic acid?
2-[methyl-[3-(4-methyl-1H-benzimidazol-2-yl)propanoyl]amino]propanoic acid has a molecular weight of 289.34 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[3-(4-methyl-1H-benzimidazol-2-yl)propanoyl]amino]propanoic acid is sourced from PubChem (CID 119358657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).