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

C13H14N2O5 — CID 62676565

IUPAC2-methyl-3-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoic acid
SMILESCC(CNC(=O)Cn1c(=O)oc2ccccc21)C(=O)O
InChIInChI=1S/C13H14N2O5/c1-8(12(17)18)6-14-11(16)7-15-9-4-2-3-5-10(9)20-13(15)19/h2-5,8H,6-7H2,1H3,(H,14,16)(H,17,18)
InChIKeyHQPOGWPFHPTZQN-UHFFFAOYSA-N
MW278.26 g/mol
LogP0.43
Rot. Bonds5

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

2-methyl-3-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoic acid (PubChem CID 62676565) has the molecular formula C13H14N2O5 and a molecular weight of 278.26 g/mol. Its IUPAC name is 2-methyl-3-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoic acid
PubChem CID62676565
Molecular FormulaC13H14N2O5
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name2-methyl-3-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoic acid
SMILESCC(CNC(=O)Cn1c(=O)oc2ccccc21)C(=O)O
InChIInChI=1S/C13H14N2O5/c1-8(12(17)18)6-14-11(16)7-15-9-4-2-3-5-10(9)20-13(15)19/h2-5,8H,6-7H2,1H3,(H,14,16)(H,17,18)
InChIKeyHQPOGWPFHPTZQN-UHFFFAOYSA-N
XLogP0.43
TPSA101.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethylbutyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 115612682
2-(2-oxo-1,3-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 4051540
N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 46522148
N-(4-hydroxypentyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 107299698
N-(2-ethylhexyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 74711303
N-butyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 4808042
N-(2-methoxyethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 3580508
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 16606244
N-(2-cyclohexyl-2-hydroxyethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 90498809
N-[(4-chlorophenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 3346299
2-methyl-3-[methyl-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylcarbamoyl]amino]propanoic acid
CID 122001120
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 55748229

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoic acid (CID 62676565) is 2-methyl-3-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoic acid is CC(CNC(=O)Cn1c(=O)oc2ccccc21)C(=O)O.
What is the InChIKey of 2-methyl-3-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoic acid?
The InChIKey is HQPOGWPFHPTZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5/c1-8(12(17)18)6-14-11(16)7-15-9-4-2-3-5-10(9)20-13(15)19/h2-5,8H,6-7H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 2-methyl-3-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoic acid?
2-methyl-3-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoic acid has a molecular weight of 278.26 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 62676565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).