2-methyl-3-[methyl-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylcarbamoyl]amino]propanoic acid

C15H19N3O5 — CID 122001120

IUPAC2-methyl-3-[methyl-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylcarbamoyl]amino]propanoic acid
SMILESCC(CN(C)C(=O)NCCn1c(=O)oc2ccccc21)C(=O)O
InChIInChI=1S/C15H19N3O5/c1-10(13(19)20)9-17(2)14(21)16-7-8-18-11-5-3-4-6-12(11)23-15(18)22/h3-6,10H,7-9H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyDYAQJPPEIUMYQO-UHFFFAOYSA-N
MW321.33 g/mol
LogP0.96
Rot. Bonds6

About 2-methyl-3-[methyl-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylcarbamoyl]amino]propanoic acid

2-methyl-3-[methyl-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylcarbamoyl]amino]propanoic acid (PubChem CID 122001120) has the molecular formula C15H19N3O5 and a molecular weight of 321.33 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylcarbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylcarbamoyl]amino]propanoic acid
PubChem CID122001120
Molecular FormulaC15H19N3O5
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Name2-methyl-3-[methyl-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylcarbamoyl]amino]propanoic acid
SMILESCC(CN(C)C(=O)NCCn1c(=O)oc2ccccc21)C(=O)O
InChIInChI=1S/C15H19N3O5/c1-10(13(19)20)9-17(2)14(21)16-7-8-18-11-5-3-4-6-12(11)23-15(18)22/h3-6,10H,7-9H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyDYAQJPPEIUMYQO-UHFFFAOYSA-N
XLogP0.96
TPSA104.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-3-[methyl-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylcarbamoyl]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

1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea
CID 110012412
2-methyl-3-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoic acid
CID 62676565
1-(3-hydroxy-4-methylpentyl)-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea
CID 111506042
N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 46522148
1-(3-ethyl-2-hydroxypentyl)-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea
CID 111115241
2-methyl-3-[methyl-[2-(2-methylphenyl)ethylcarbamoyl]amino]propanoic acid
CID 79757557
N,N-dimethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 672457
N'-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)-N'-phenylbutanehydrazide
CID 18121118
2-(2-oxo-1,3-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 4051540
3-[1-benzofuran-3-ylmethylcarbamoyl(methyl)amino]-2-methylpropanoic acid
CID 122002286
N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-phenylethyl]butanamide
CID 32906627
1-(2-methyl-2-methylsulfanylpropyl)-3-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]urea
CID 71990219

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylcarbamoyl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylcarbamoyl]amino]propanoic acid (CID 122001120) is 2-methyl-3-[methyl-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylcarbamoyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylcarbamoyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylcarbamoyl]amino]propanoic acid is CC(CN(C)C(=O)NCCn1c(=O)oc2ccccc21)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylcarbamoyl]amino]propanoic acid?
The InChIKey is DYAQJPPEIUMYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5/c1-10(13(19)20)9-17(2)14(21)16-7-8-18-11-5-3-4-6-12(11)23-15(18)22/h3-6,10H,7-9H2,1-2H3,(H,16,21)(H,19,20).
What are the key properties of 2-methyl-3-[methyl-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylcarbamoyl]amino]propanoic acid?
2-methyl-3-[methyl-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylcarbamoyl]amino]propanoic acid has a molecular weight of 321.33 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylcarbamoyl]amino]propanoic acid is sourced from PubChem (CID 122001120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).