2-methyl-3-[methyl-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]propanoic acid

C14H17N3O4 — CID 119228065

IUPAC2-methyl-3-[methyl-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]propanoic acid
SMILESCC(CN(C)C(=O)Cn1c(=O)[nH]c2ccccc21)C(=O)O
InChIInChI=1S/C14H17N3O4/c1-9(13(19)20)7-16(2)12(18)8-17-11-6-4-3-5-10(11)15-14(17)21/h3-6,9H,7-8H2,1-2H3,(H,15,21)(H,19,20)
InChIKeyWLUFOYJESSBCNS-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.51
Rot. Bonds5

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

2-methyl-3-[methyl-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]propanoic acid (PubChem CID 119228065) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]propanoic acid
PubChem CID119228065
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name2-methyl-3-[methyl-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]propanoic acid
SMILESCC(CN(C)C(=O)Cn1c(=O)[nH]c2ccccc21)C(=O)O
InChIInChI=1S/C14H17N3O4/c1-9(13(19)20)7-16(2)12(18)8-17-11-6-4-3-5-10(11)15-14(17)21/h3-6,9H,7-8H2,1-2H3,(H,15,21)(H,19,20)
InChIKeyWLUFOYJESSBCNS-UHFFFAOYSA-N
XLogP0.51
TPSA95.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-3-[methyl-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 109400298
2-[[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]butanoic acid
CID 119223469
2-[cyclopropyl-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]acetic acid
CID 119194768
2-[2-methoxyethyl-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]acetic acid
CID 119189078
N-(2-hydroxypropyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 110898816
N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195295
N-(2-aminoethyl)-2-(2-oxo-3H-benzimidazol-1-yl)-N-(2-phenylethyl)acetamide
CID 120885102
3-(2-aminopropyl)-1H-benzimidazol-2-one
CID 13174707
2-(dimethylamino)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-2-phenylacetamide
CID 110610901
N-cyclopropyl-N-(4-hydroxybutyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 109388141
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 119527137
3-[3-[3-hydroxybutyl(methyl)amino]propyl]-1H-benzimidazol-2-one
CID 115666909

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]propanoic acid (CID 119228065) is 2-methyl-3-[methyl-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]propanoic acid is CC(CN(C)C(=O)Cn1c(=O)[nH]c2ccccc21)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]propanoic acid?
The InChIKey is WLUFOYJESSBCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-9(13(19)20)7-16(2)12(18)8-17-11-6-4-3-5-10(11)15-14(17)21/h3-6,9H,7-8H2,1-2H3,(H,15,21)(H,19,20).
What are the key properties of 2-methyl-3-[methyl-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]propanoic acid?
2-methyl-3-[methyl-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]propanoic acid has a molecular weight of 291.31 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 119228065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).