3-methoxy-2-methyl-2-[(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)amino]propanoic acid

C14H17N3O5 — CID 120531806

IUPAC3-methoxy-2-methyl-2-[(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)amino]propanoic acid
SMILESCOCC(C)(NC(=O)c1ccc2[nH]c(=O)n(C)c2c1)C(=O)O
InChIInChI=1S/C14H17N3O5/c1-14(7-22-3,12(19)20)16-11(18)8-4-5-9-10(6-8)17(2)13(21)15-9/h4-6H,7H2,1-3H3,(H,15,21)(H,16,18)(H,19,20)
InChIKeyVZRLJWVDVRGLOE-UHFFFAOYSA-N
MW307.31 g/mol
LogP0.09
Rot. Bonds5

About 3-methoxy-2-methyl-2-[(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)amino]propanoic acid

3-methoxy-2-methyl-2-[(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)amino]propanoic acid (PubChem CID 120531806) has the molecular formula C14H17N3O5 and a molecular weight of 307.31 g/mol. Its IUPAC name is 3-methoxy-2-methyl-2-[(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-methyl-2-[(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)amino]propanoic acid
PubChem CID120531806
Molecular FormulaC14H17N3O5
Molecular Weight307.31 g/mol
Exact Mass307.12
IUPAC Name3-methoxy-2-methyl-2-[(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)amino]propanoic acid
SMILESCOCC(C)(NC(=O)c1ccc2[nH]c(=O)n(C)c2c1)C(=O)O
InChIInChI=1S/C14H17N3O5/c1-14(7-22-3,12(19)20)16-11(18)8-4-5-9-10(6-8)17(2)13(21)15-9/h4-6H,7H2,1-3H3,(H,15,21)(H,16,18)(H,19,20)
InChIKeyVZRLJWVDVRGLOE-UHFFFAOYSA-N
XLogP0.09
TPSA113.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-2-[4-[(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)amino]pyrazol-1-yl]propanoic acid
CID 120697124
3-methyl-N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-2-oxo-1H-benzimidazole-5-carboxamide
CID 154805694
3-methoxy-2-methyl-2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]propanoic acid
CID 120531734
4-[(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)amino]thiane-4-carboxylic acid
CID 120531201
1-[(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120512737
3-methoxy-2-[[2-(2-methoxyethoxy)pyridine-4-carbonyl]amino]-2-methylpropanoic acid
CID 120531677
3-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-oxo-1H-benzimidazole-5-carboxamide
CID 167863877
3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-oxo-1H-benzimidazole-5-carboxamide
CID 138992320
3-methoxy-2-methyl-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid
CID 120531726
3-[(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)-(2-methylpropyl)amino]propanoic acid
CID 120516451
3-methoxy-2-methyl-2-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]propanoic acid
CID 120531851
2-[[(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)amino]methyl]-3-(3-methylphenyl)propanoic acid
CID 120526768

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-2-[(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)amino]propanoic acid?
The IUPAC name of 3-methoxy-2-methyl-2-[(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)amino]propanoic acid (CID 120531806) is 3-methoxy-2-methyl-2-[(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-methoxy-2-methyl-2-[(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-methoxy-2-methyl-2-[(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)amino]propanoic acid is COCC(C)(NC(=O)c1ccc2[nH]c(=O)n(C)c2c1)C(=O)O.
What is the InChIKey of 3-methoxy-2-methyl-2-[(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)amino]propanoic acid?
The InChIKey is VZRLJWVDVRGLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O5/c1-14(7-22-3,12(19)20)16-11(18)8-4-5-9-10(6-8)17(2)13(21)15-9/h4-6H,7H2,1-3H3,(H,15,21)(H,16,18)(H,19,20).
What are the key properties of 3-methoxy-2-methyl-2-[(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)amino]propanoic acid?
3-methoxy-2-methyl-2-[(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)amino]propanoic acid has a molecular weight of 307.31 g/mol, XLogP of 0.09, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-2-[(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 120531806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).