2-amino-4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid

C11H11N3O5 — CID 115180967

IUPAC2-amino-4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid
SMILESNC(CC(=O)Nc1ccc2oc(=O)[nH]c2c1)C(=O)O
InChIInChI=1S/C11H11N3O5/c12-6(10(16)17)4-9(15)13-5-1-2-8-7(3-5)14-11(18)19-8/h1-3,6H,4,12H2,(H,13,15)(H,14,18)(H,16,17)
InChIKeyZUGGCRBSATZEMX-UHFFFAOYSA-N
MW265.23 g/mol
LogP-0.14
Rot. Bonds4

About 2-amino-4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid

2-amino-4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid (PubChem CID 115180967) has the molecular formula C11H11N3O5 and a molecular weight of 265.23 g/mol. Its IUPAC name is 2-amino-4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid.

Molecular Properties

Compound Name2-amino-4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid
PubChem CID115180967
Molecular FormulaC11H11N3O5
Molecular Weight265.23 g/mol
Exact Mass265.07
IUPAC Name2-amino-4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid
SMILESNC(CC(=O)Nc1ccc2oc(=O)[nH]c2c1)C(=O)O
InChIInChI=1S/C11H11N3O5/c12-6(10(16)17)4-9(15)13-5-1-2-8-7(3-5)14-11(18)19-8/h1-3,6H,4,12H2,(H,13,15)(H,14,18)(H,16,17)
InChIKeyZUGGCRBSATZEMX-UHFFFAOYSA-N
XLogP-0.14
TPSA138.42 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 5-0.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-amino-4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid with MolForge

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Related Compounds

4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 12925401
3-acetamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-phenylpropanamide
CID 134019701
2-amino-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 43710360
2,2-dimethyl-4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 65302361
7-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)heptanamide;hydrochloride
CID 119709871
(2R)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 78972326
(2S)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-phenylacetamide
CID 104897322
methyl 4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoate
CID 47157162
3-acetamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 47160045
2-[1-(aminomethyl)cyclobutyl]-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 81179560
2-amino-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanoic acid;hydrochloride
CID 70618768
2-amino-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pentanamide
CID 43710375

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid?
The IUPAC name of 2-amino-4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid (CID 115180967) is 2-amino-4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid.
What is the SMILES notation for 2-amino-4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid?
The canonical SMILES for 2-amino-4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid is NC(CC(=O)Nc1ccc2oc(=O)[nH]c2c1)C(=O)O.
What is the InChIKey of 2-amino-4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid?
The InChIKey is ZUGGCRBSATZEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O5/c12-6(10(16)17)4-9(15)13-5-1-2-8-7(3-5)14-11(18)19-8/h1-3,6H,4,12H2,(H,13,15)(H,14,18)(H,16,17).
What are the key properties of 2-amino-4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid?
2-amino-4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid has a molecular weight of 265.23 g/mol, XLogP of -0.14, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid is sourced from PubChem (CID 115180967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).