2-methyl-3-[methyl-[[2-methyl-5-(1,3-oxazol-2-yl)phenyl]carbamoyl]amino]propanoic acid

C16H19N3O4 — CID 122088128

IUPAC2-methyl-3-[methyl-[[2-methyl-5-(1,3-oxazol-2-yl)phenyl]carbamoyl]amino]propanoic acid
SMILESCc1ccc(-c2ncco2)cc1NC(=O)N(C)CC(C)C(=O)O
InChIInChI=1S/C16H19N3O4/c1-10-4-5-12(14-17-6-7-23-14)8-13(10)18-16(22)19(3)9-11(2)15(20)21/h4-8,11H,9H2,1-3H3,(H,18,22)(H,20,21)
InChIKeyJNJBNVZOBPVUJX-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.83
Rot. Bonds5

About 2-methyl-3-[methyl-[[2-methyl-5-(1,3-oxazol-2-yl)phenyl]carbamoyl]amino]propanoic acid

2-methyl-3-[methyl-[[2-methyl-5-(1,3-oxazol-2-yl)phenyl]carbamoyl]amino]propanoic acid (PubChem CID 122088128) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[[2-methyl-5-(1,3-oxazol-2-yl)phenyl]carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-[[2-methyl-5-(1,3-oxazol-2-yl)phenyl]carbamoyl]amino]propanoic acid
PubChem CID122088128
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name2-methyl-3-[methyl-[[2-methyl-5-(1,3-oxazol-2-yl)phenyl]carbamoyl]amino]propanoic acid
SMILESCc1ccc(-c2ncco2)cc1NC(=O)N(C)CC(C)C(=O)O
InChIInChI=1S/C16H19N3O4/c1-10-4-5-12(14-17-6-7-23-14)8-13(10)18-16(22)19(3)9-11(2)15(20)21/h4-8,11H,9H2,1-3H3,(H,18,22)(H,20,21)
InChIKeyJNJBNVZOBPVUJX-UHFFFAOYSA-N
XLogP2.83
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-3-[methyl-[[2-methyl-5-(1,3-oxazol-2-yl)phenyl]carbamoyl]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

3-[(5-bromo-2-methylphenyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 55007474
2-methyl-3-[methyl-[[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]carbamoyl]amino]propanoic acid
CID 122076338
2-methyl-5-(1,3-oxazol-2-yl)benzoic acid
CID 170993673
2-methyl-3-[methyl-[[3-(4-methyl-1,3-oxazol-2-yl)phenyl]carbamoyl]amino]propanoic acid
CID 122086674
3-[(4-bromo-2-pyridinyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 122091610
3-[(2-methoxy-5-methyl-3-pyridinyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 122086035
3-[[2-methyl-5-(1,3-oxazol-2-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120551453
2-methyl-3-[methyl-[(5-methyl-2-pyridinyl)carbamoyl]amino]propanoic acid
CID 122089410
2-methyl-3-[methyl(pyrimidin-2-ylcarbamoyl)amino]propanoic acid
CID 55007752
2-methyl-3-[methyl-[[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]carbamoyl]amino]propanoic acid
CID 122079022
2-methyl-3-[methyl-[(2-methyl-5-piperidin-1-ylsulfonylphenyl)carbamoyl]amino]propanoic acid
CID 122073897
3-[(3-iodo-4-methylphenyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 114257758

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-[[2-methyl-5-(1,3-oxazol-2-yl)phenyl]carbamoyl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-[[2-methyl-5-(1,3-oxazol-2-yl)phenyl]carbamoyl]amino]propanoic acid (CID 122088128) is 2-methyl-3-[methyl-[[2-methyl-5-(1,3-oxazol-2-yl)phenyl]carbamoyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-[[2-methyl-5-(1,3-oxazol-2-yl)phenyl]carbamoyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-[[2-methyl-5-(1,3-oxazol-2-yl)phenyl]carbamoyl]amino]propanoic acid is Cc1ccc(-c2ncco2)cc1NC(=O)N(C)CC(C)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl-[[2-methyl-5-(1,3-oxazol-2-yl)phenyl]carbamoyl]amino]propanoic acid?
The InChIKey is JNJBNVZOBPVUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-10-4-5-12(14-17-6-7-23-14)8-13(10)18-16(22)19(3)9-11(2)15(20)21/h4-8,11H,9H2,1-3H3,(H,18,22)(H,20,21).
What are the key properties of 2-methyl-3-[methyl-[[2-methyl-5-(1,3-oxazol-2-yl)phenyl]carbamoyl]amino]propanoic acid?
2-methyl-3-[methyl-[[2-methyl-5-(1,3-oxazol-2-yl)phenyl]carbamoyl]amino]propanoic acid has a molecular weight of 317.35 g/mol, XLogP of 2.83, 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-methyl-5-(1,3-oxazol-2-yl)phenyl]carbamoyl]amino]propanoic acid is sourced from PubChem (CID 122088128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).