2-methyl-3-[(5-methyl-1H-imidazole-4-carbonyl)amino]-2-phenylpropanoic acid

C15H17N3O3 — CID 154867048

IUPAC2-methyl-3-[(5-methyl-1H-imidazole-4-carbonyl)amino]-2-phenylpropanoic acid
SMILESCc1[nH]cnc1C(=O)NCC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C15H17N3O3/c1-10-12(18-9-17-10)13(19)16-8-15(2,14(20)21)11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,16,19)(H,17,18)(H,20,21)
InChIKeyOLJUGYAFEPYPNU-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.49
Rot. Bonds5

About 2-methyl-3-[(5-methyl-1H-imidazole-4-carbonyl)amino]-2-phenylpropanoic acid

2-methyl-3-[(5-methyl-1H-imidazole-4-carbonyl)amino]-2-phenylpropanoic acid (PubChem CID 154867048) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-methyl-3-[(5-methyl-1H-imidazole-4-carbonyl)amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-methyl-3-[(5-methyl-1H-imidazole-4-carbonyl)amino]-2-phenylpropanoic acid
PubChem CID154867048
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-methyl-3-[(5-methyl-1H-imidazole-4-carbonyl)amino]-2-phenylpropanoic acid
SMILESCc1[nH]cnc1C(=O)NCC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C15H17N3O3/c1-10-12(18-9-17-10)13(19)16-8-15(2,14(20)21)11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,16,19)(H,17,18)(H,20,21)
InChIKeyOLJUGYAFEPYPNU-UHFFFAOYSA-N
XLogP1.49
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-5-methyl-1H-imidazole-4-carboxamide
CID 71320720
3-[(2,4-dimethylpyrimidine-5-carbonyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701052
3-acetamido-2-methyl-2-phenylpropanoic acid
CID 120701382
3-[(4-chloro-1,5-dimethylpyrazole-3-carbonyl)amino]-2-methyl-2-phenylpropanoic acid
CID 122108747
3-[(2-ethylbenzoyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701661
3-[(4-methoxy-2-methylbenzoyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701614
3-[(3,4-dimethoxybenzoyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701119
2-methyl-3-[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]-2-phenylpropanoic acid
CID 120701441
2-methyl-2-phenyl-3-[(3-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid
CID 120700865
2-methyl-3-[(1-methylpyrrole-2-carbonyl)amino]-2-phenylpropanoic acid
CID 120701236
2-methyl-2-phenyl-3-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 120701444
3-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701525

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(5-methyl-1H-imidazole-4-carbonyl)amino]-2-phenylpropanoic acid?
The IUPAC name of 2-methyl-3-[(5-methyl-1H-imidazole-4-carbonyl)amino]-2-phenylpropanoic acid (CID 154867048) is 2-methyl-3-[(5-methyl-1H-imidazole-4-carbonyl)amino]-2-phenylpropanoic acid.
What is the SMILES notation for 2-methyl-3-[(5-methyl-1H-imidazole-4-carbonyl)amino]-2-phenylpropanoic acid?
The canonical SMILES for 2-methyl-3-[(5-methyl-1H-imidazole-4-carbonyl)amino]-2-phenylpropanoic acid is Cc1[nH]cnc1C(=O)NCC(C)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-methyl-3-[(5-methyl-1H-imidazole-4-carbonyl)amino]-2-phenylpropanoic acid?
The InChIKey is OLJUGYAFEPYPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-10-12(18-9-17-10)13(19)16-8-15(2,14(20)21)11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,16,19)(H,17,18)(H,20,21).
What are the key properties of 2-methyl-3-[(5-methyl-1H-imidazole-4-carbonyl)amino]-2-phenylpropanoic acid?
2-methyl-3-[(5-methyl-1H-imidazole-4-carbonyl)amino]-2-phenylpropanoic acid has a molecular weight of 287.32 g/mol, XLogP of 1.49, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(5-methyl-1H-imidazole-4-carbonyl)amino]-2-phenylpropanoic acid is sourced from PubChem (CID 154867048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).