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

C11H10N2O5 — CID 12925401

IUPAC4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid
SMILESO=C(O)CCC(=O)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C11H10N2O5/c14-9(3-4-10(15)16)12-6-1-2-8-7(5-6)13-11(17)18-8/h1-2,5H,3-4H2,(H,12,14)(H,13,17)(H,15,16)
InChIKeyNFHJFXLZWMEDQN-UHFFFAOYSA-N
MW250.21 g/mol
LogP0.92
Rot. Bonds4

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

4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid (PubChem CID 12925401) has the molecular formula C11H10N2O5 and a molecular weight of 250.21 g/mol. Its IUPAC name is 4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid.

Molecular Properties

Compound Name4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid
PubChem CID12925401
Molecular FormulaC11H10N2O5
Molecular Weight250.21 g/mol
Exact Mass250.06
IUPAC Name4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid
SMILESO=C(O)CCC(=O)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C11H10N2O5/c14-9(3-4-10(15)16)12-6-1-2-8-7(5-6)13-11(17)18-8/h1-2,5H,3-4H2,(H,12,14)(H,13,17)(H,15,16)
InChIKeyNFHJFXLZWMEDQN-UHFFFAOYSA-N
XLogP0.92
TPSA112.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

methyl 4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoate
CID 47157162
7-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)heptanamide;hydrochloride
CID 119709871
3-acetamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 47160045
2-amino-4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 115180967
4-(4-tert-butylphenyl)-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 110410924
2,2-dimethyl-4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 65302361
4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)methylamino]butanoic acid
CID 82501414
4-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 110616272
4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 38467775
4-(1,3-dioxoisoindol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 38466657
3-acetamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-phenylpropanamide
CID 134019701
4-(3-methoxyphenyl)-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 110607947

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid?
The IUPAC name of 4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid (CID 12925401) is 4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid.
What is the SMILES notation for 4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid?
The canonical SMILES for 4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid is O=C(O)CCC(=O)Nc1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of 4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid?
The InChIKey is NFHJFXLZWMEDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O5/c14-9(3-4-10(15)16)12-6-1-2-8-7(5-6)13-11(17)18-8/h1-2,5H,3-4H2,(H,12,14)(H,13,17)(H,15,16).
What are the key properties of 4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid?
4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid has a molecular weight of 250.21 g/mol, XLogP of 0.92, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid is sourced from PubChem (CID 12925401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).