2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)acetic acid

C9H8N2O4 — CID 61307519

IUPAC2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)acetic acid
SMILESNc1ccc2c(c1)oc(=O)n2CC(=O)O
InChIInChI=1S/C9H8N2O4/c10-5-1-2-6-7(3-5)15-9(14)11(6)4-8(12)13/h1-3H,4,10H2,(H,12,13)
InChIKeyIGPQFRLKDYXUDJ-UHFFFAOYSA-N
MW208.17 g/mol
LogP0.26
Rot. Bonds2

About 2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)acetic acid

2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)acetic acid (PubChem CID 61307519) has the molecular formula C9H8N2O4 and a molecular weight of 208.17 g/mol. Its IUPAC name is 2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)acetic acid
PubChem CID61307519
Molecular FormulaC9H8N2O4
Molecular Weight208.17 g/mol
Exact Mass208.05
IUPAC Name2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)acetic acid
SMILESNc1ccc2c(c1)oc(=O)n2CC(=O)O
InChIInChI=1S/C9H8N2O4/c10-5-1-2-6-7(3-5)15-9(14)11(6)4-8(12)13/h1-3H,4,10H2,(H,12,13)
InChIKeyIGPQFRLKDYXUDJ-UHFFFAOYSA-N
XLogP0.26
TPSA98.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 6485818
2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)-N-ethylacetamide
CID 61307344
6-amino-3-(5-hydroxypentyl)-1,3-benzoxazol-2-one
CID 55053294
2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)-N-pentan-3-ylacetamide
CID 61489818
5-(6-amino-2-oxo-1,3-benzoxazol-3-yl)pentanenitrile
CID 54965994
6-amino-3-(cyclobutylmethyl)-1,3-benzoxazol-2-one
CID 65458515
2-[6-(3-fluorobenzoyl)-2-oxo-1,3-benzoxazol-3-yl]acetic acid
CID 11723196
2-[6-(azepan-1-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]acetic acid
CID 3672745
2-(6-fluoro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 11680081
6-amino-3-(2-propan-2-ylsulfonylethyl)-1,3-benzoxazol-2-one
CID 106724688
6-amino-3-[(2,4-dimethylphenyl)methyl]-1,3-benzoxazol-2-one
CID 82092548
2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N,N-diethylacetamide
CID 43447892

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)acetic acid?
The IUPAC name of 2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)acetic acid (CID 61307519) is 2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)acetic acid.
What is the SMILES notation for 2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)acetic acid?
The canonical SMILES for 2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)acetic acid is Nc1ccc2c(c1)oc(=O)n2CC(=O)O.
What is the InChIKey of 2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)acetic acid?
The InChIKey is IGPQFRLKDYXUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O4/c10-5-1-2-6-7(3-5)15-9(14)11(6)4-8(12)13/h1-3H,4,10H2,(H,12,13).
What are the key properties of 2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)acetic acid?
2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)acetic acid has a molecular weight of 208.17 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)acetic acid is sourced from PubChem (CID 61307519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).