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

C13H14N2O5 — CID 61262096

IUPAC2-methyl-2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoic acid
SMILESCC(C)(NC(=O)Cn1c(=O)oc2ccccc21)C(=O)O
InChIInChI=1S/C13H14N2O5/c1-13(2,11(17)18)14-10(16)7-15-8-5-3-4-6-9(8)20-12(15)19/h3-6H,7H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyRZWIYXJVLZOZQZ-UHFFFAOYSA-N
MW278.26 g/mol
LogP0.57
Rot. Bonds4

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

2-methyl-2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoic acid (PubChem CID 61262096) has the molecular formula C13H14N2O5 and a molecular weight of 278.26 g/mol. Its IUPAC name is 2-methyl-2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoic acid
PubChem CID61262096
Molecular FormulaC13H14N2O5
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name2-methyl-2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoic acid
SMILESCC(C)(NC(=O)Cn1c(=O)oc2ccccc21)C(=O)O
InChIInChI=1S/C13H14N2O5/c1-13(2,11(17)18)14-10(16)7-15-8-5-3-4-6-9(8)20-12(15)19/h3-6H,7H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyRZWIYXJVLZOZQZ-UHFFFAOYSA-N
XLogP0.57
TPSA101.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-oxo-1,3-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 4051540
N-tert-butyl-4-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzamide
CID 15991852
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(propan-2-ylideneamino)acetamide
CID 89398509
N-tert-butyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 51197823
2-methyl-3-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoic acid
CID 62676565
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 52907105
N-cyano-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 79194815
N-butyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 4808042
N-(2-ethylbutyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 115612682
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,N-dimethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 672457

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoic acid (CID 61262096) is 2-methyl-2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoic acid is CC(C)(NC(=O)Cn1c(=O)oc2ccccc21)C(=O)O.
What is the InChIKey of 2-methyl-2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoic acid?
The InChIKey is RZWIYXJVLZOZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5/c1-13(2,11(17)18)14-10(16)7-15-8-5-3-4-6-9(8)20-12(15)19/h3-6H,7H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 2-methyl-2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoic acid?
2-methyl-2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoic acid has a molecular weight of 278.26 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 61262096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).