6-amino-4-(2-hydroxyacetyl)-1,4-benzoxazin-3-one

C10H10N2O4 — CID 115139606

IUPAC6-amino-4-(2-hydroxyacetyl)-1,4-benzoxazin-3-one
SMILESNc1ccc2c(c1)N(C(=O)CO)C(=O)CO2
InChIInChI=1S/C10H10N2O4/c11-6-1-2-8-7(3-6)12(9(14)4-13)10(15)5-16-8/h1-3,13H,4-5,11H2
InChIKeyLPUDFJMFDXTCGR-UHFFFAOYSA-N
MW222.20 g/mol
LogP-0.49
Rot. Bonds1

About 6-amino-4-(2-hydroxyacetyl)-1,4-benzoxazin-3-one

6-amino-4-(2-hydroxyacetyl)-1,4-benzoxazin-3-one (PubChem CID 115139606) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is 6-amino-4-(2-hydroxyacetyl)-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-amino-4-(2-hydroxyacetyl)-1,4-benzoxazin-3-one
PubChem CID115139606
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Name6-amino-4-(2-hydroxyacetyl)-1,4-benzoxazin-3-one
SMILESNc1ccc2c(c1)N(C(=O)CO)C(=O)CO2
InChIInChI=1S/C10H10N2O4/c11-6-1-2-8-7(3-6)12(9(14)4-13)10(15)5-16-8/h1-3,13H,4-5,11H2
InChIKeyLPUDFJMFDXTCGR-UHFFFAOYSA-N
XLogP-0.49
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 5-0.49
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

6-amino-4-(2-amino-3-hydroxypropanoyl)-1,4-benzoxazin-3-one
CID 115179616
6-amino-4-(2-hydroxy-2-methylpropanoyl)-1,4-benzoxazin-3-one
CID 115178563
4-(2-hydroxyacetyl)-6-[2-(methylamino)ethyl]-1,4-benzoxazin-3-one
CID 115140193
6-amino-4-[2-methyl-2-(methylamino)propanoyl]-1,4-benzoxazin-3-one
CID 115165589
6-amino-4-(6-hydroxyhexyl)-1,4-benzoxazin-3-one
CID 107703729
6-amino-4-(pyrrolidine-2-carbonyl)-1,4-benzoxazin-3-one
CID 115159175
6-amino-4-(3-hydroxy-2,2-dimethylpropyl)-1,4-benzoxazin-3-one
CID 115135141
6-amino-4-[(4-aminophenyl)methyl]-1,4-benzoxazin-3-one
CID 115212371
6-amino-4-(hydrazinylmethyl)-1,4-benzoxazin-3-one
CID 115260484
6-amino-4-(2,2-difluoroethyl)-1,4-benzoxazin-3-one
CID 60922931
2-amino-4-(6-amino-3-oxo-1,4-benzoxazin-4-yl)butanoic acid
CID 115241032
6-amino-4-heptyl-1,4-benzoxazin-3-one
CID 43479486

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(2-hydroxyacetyl)-1,4-benzoxazin-3-one?
The IUPAC name of 6-amino-4-(2-hydroxyacetyl)-1,4-benzoxazin-3-one (CID 115139606) is 6-amino-4-(2-hydroxyacetyl)-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-amino-4-(2-hydroxyacetyl)-1,4-benzoxazin-3-one?
The canonical SMILES for 6-amino-4-(2-hydroxyacetyl)-1,4-benzoxazin-3-one is Nc1ccc2c(c1)N(C(=O)CO)C(=O)CO2.
What is the InChIKey of 6-amino-4-(2-hydroxyacetyl)-1,4-benzoxazin-3-one?
The InChIKey is LPUDFJMFDXTCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4/c11-6-1-2-8-7(3-6)12(9(14)4-13)10(15)5-16-8/h1-3,13H,4-5,11H2.
What are the key properties of 6-amino-4-(2-hydroxyacetyl)-1,4-benzoxazin-3-one?
6-amino-4-(2-hydroxyacetyl)-1,4-benzoxazin-3-one has a molecular weight of 222.20 g/mol, XLogP of -0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(2-hydroxyacetyl)-1,4-benzoxazin-3-one is sourced from PubChem (CID 115139606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).