2-[methyl-(2-methyl-3-oxo-4H-1,4-benzoxazine-8-carbonyl)amino]acetic acid

C13H14N2O5 — CID 119135794

IUPAC2-[methyl-(2-methyl-3-oxo-4H-1,4-benzoxazine-8-carbonyl)amino]acetic acid
SMILESCC1Oc2c(cccc2C(=O)N(C)CC(=O)O)NC1=O
InChIInChI=1S/C13H14N2O5/c1-7-12(18)14-9-5-3-4-8(11(9)20-7)13(19)15(2)6-10(16)17/h3-5,7H,6H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyORHIXAZQYDPOIY-UHFFFAOYSA-N
MW278.26 g/mol
LogP0.56
Rot. Bonds3

About 2-[methyl-(2-methyl-3-oxo-4H-1,4-benzoxazine-8-carbonyl)amino]acetic acid

2-[methyl-(2-methyl-3-oxo-4H-1,4-benzoxazine-8-carbonyl)amino]acetic acid (PubChem CID 119135794) has the molecular formula C13H14N2O5 and a molecular weight of 278.26 g/mol. Its IUPAC name is 2-[methyl-(2-methyl-3-oxo-4H-1,4-benzoxazine-8-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-(2-methyl-3-oxo-4H-1,4-benzoxazine-8-carbonyl)amino]acetic acid
PubChem CID119135794
Molecular FormulaC13H14N2O5
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name2-[methyl-(2-methyl-3-oxo-4H-1,4-benzoxazine-8-carbonyl)amino]acetic acid
SMILESCC1Oc2c(cccc2C(=O)N(C)CC(=O)O)NC1=O
InChIInChI=1S/C13H14N2O5/c1-7-12(18)14-9-5-3-4-8(11(9)20-7)13(19)15(2)6-10(16)17/h3-5,7H,6H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyORHIXAZQYDPOIY-UHFFFAOYSA-N
XLogP0.56
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(2-methyl-3-oxo-4H-1,4-benzoxazine-8-carbonyl)amino]acetic acid?
The IUPAC name of 2-[methyl-(2-methyl-3-oxo-4H-1,4-benzoxazine-8-carbonyl)amino]acetic acid (CID 119135794) is 2-[methyl-(2-methyl-3-oxo-4H-1,4-benzoxazine-8-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl-(2-methyl-3-oxo-4H-1,4-benzoxazine-8-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[methyl-(2-methyl-3-oxo-4H-1,4-benzoxazine-8-carbonyl)amino]acetic acid is CC1Oc2c(cccc2C(=O)N(C)CC(=O)O)NC1=O.
What is the InChIKey of 2-[methyl-(2-methyl-3-oxo-4H-1,4-benzoxazine-8-carbonyl)amino]acetic acid?
The InChIKey is ORHIXAZQYDPOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5/c1-7-12(18)14-9-5-3-4-8(11(9)20-7)13(19)15(2)6-10(16)17/h3-5,7H,6H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 2-[methyl-(2-methyl-3-oxo-4H-1,4-benzoxazine-8-carbonyl)amino]acetic acid?
2-[methyl-(2-methyl-3-oxo-4H-1,4-benzoxazine-8-carbonyl)amino]acetic acid has a molecular weight of 278.26 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(2-methyl-3-oxo-4H-1,4-benzoxazine-8-carbonyl)amino]acetic acid is sourced from PubChem (CID 119135794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).