2-[(6-methoxy-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl-methylamino]acetic acid

C12H14N2O7S — CID 120666197

IUPAC2-[(6-methoxy-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl-methylamino]acetic acid
SMILESCOc1cc2c(cc1S(=O)(=O)N(C)CC(=O)O)OCC(=O)N2
InChIInChI=1S/C12H14N2O7S/c1-14(5-12(16)17)22(18,19)10-4-8-7(3-9(10)20-2)13-11(15)6-21-8/h3-4H,5-6H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyDDDLPVXNAJBUNH-UHFFFAOYSA-N
MW330.32 g/mol
LogP-0.27
Rot. Bonds5

About 2-[(6-methoxy-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl-methylamino]acetic acid

2-[(6-methoxy-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl-methylamino]acetic acid (PubChem CID 120666197) has the molecular formula C12H14N2O7S and a molecular weight of 330.32 g/mol. Its IUPAC name is 2-[(6-methoxy-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(6-methoxy-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl-methylamino]acetic acid
PubChem CID120666197
Molecular FormulaC12H14N2O7S
Molecular Weight330.32 g/mol
Exact Mass330.05
IUPAC Name2-[(6-methoxy-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl-methylamino]acetic acid
SMILESCOc1cc2c(cc1S(=O)(=O)N(C)CC(=O)O)OCC(=O)N2
InChIInChI=1S/C12H14N2O7S/c1-14(5-12(16)17)22(18,19)10-4-8-7(3-9(10)20-2)13-11(15)6-21-8/h3-4H,5-6H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyDDDLPVXNAJBUNH-UHFFFAOYSA-N
XLogP-0.27
TPSA122.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(6-methoxy-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl-methylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(6-methoxy-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl-methylamino]-2-methylpropanoic acid
CID 120666214
2-[methyl-[(7-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]amino]acetic acid
CID 17175027
(2R)-2-[(6-methoxy-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonylamino]-4-methylpentanoic acid
CID 120666180
N-(2-methoxyphenyl)-2-[methyl-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]amino]acetamide
CID 22582533
N-(2-methylbutan-2-yl)-2-[methyl-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]amino]acetamide
CID 50808599
2-[methyl-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]amino]-N-(1-phenylethyl)acetamide
CID 22582505
2-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl-methylamino]-N-(1-phenylethyl)acetamide
CID 126459013
N-benzyl-2-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl-methylamino]-N-ethylacetamide
CID 20969837
6-chloro-N-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 20969830
N-(4-chloro-2-methylphenyl)-2-[methyl-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]amino]acetamide
CID 50808546
N-cyclohexyl-2-[methyl-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]amino]-N-propan-2-ylacetamide
CID 50808581
N-(2,5-dimethoxyphenyl)-N,6-dimethyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 22548447

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl-methylamino]acetic acid?
The IUPAC name of 2-[(6-methoxy-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl-methylamino]acetic acid (CID 120666197) is 2-[(6-methoxy-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl-methylamino]acetic acid.
What is the SMILES notation for 2-[(6-methoxy-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl-methylamino]acetic acid?
The canonical SMILES for 2-[(6-methoxy-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl-methylamino]acetic acid is COc1cc2c(cc1S(=O)(=O)N(C)CC(=O)O)OCC(=O)N2.
What is the InChIKey of 2-[(6-methoxy-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl-methylamino]acetic acid?
The InChIKey is DDDLPVXNAJBUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O7S/c1-14(5-12(16)17)22(18,19)10-4-8-7(3-9(10)20-2)13-11(15)6-21-8/h3-4H,5-6H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 2-[(6-methoxy-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl-methylamino]acetic acid?
2-[(6-methoxy-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl-methylamino]acetic acid has a molecular weight of 330.32 g/mol, XLogP of -0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl-methylamino]acetic acid is sourced from PubChem (CID 120666197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).