methyl 2-oxo-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)amino]acetate

C11H10N2O5 — CID 115142185

IUPACmethyl 2-oxo-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)amino]acetate
SMILESCOC(=O)C(=O)Nc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C11H10N2O5/c1-17-11(16)10(15)12-6-2-3-8-7(4-6)13-9(14)5-18-8/h2-4H,5H2,1H3,(H,12,15)(H,13,14)
InChIKeyOMZIZNOJDJKXCF-UHFFFAOYSA-N
MW250.21 g/mol
LogP0.13
Rot. Bonds1

About methyl 2-oxo-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)amino]acetate

methyl 2-oxo-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)amino]acetate (PubChem CID 115142185) has the molecular formula C11H10N2O5 and a molecular weight of 250.21 g/mol. Its IUPAC name is methyl 2-oxo-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-oxo-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)amino]acetate
PubChem CID115142185
Molecular FormulaC11H10N2O5
Molecular Weight250.21 g/mol
Exact Mass250.06
IUPAC Namemethyl 2-oxo-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)amino]acetate
SMILESCOC(=O)C(=O)Nc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C11H10N2O5/c1-17-11(16)10(15)12-6-2-3-8-7(4-6)13-9(14)5-18-8/h2-4H,5H2,1H3,(H,12,15)(H,13,14)
InChIKeyOMZIZNOJDJKXCF-UHFFFAOYSA-N
XLogP0.13
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pentanamide
CID 60637259
3,3-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 24654705
2-amino-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pentanamide
CID 61250377
2-amino-4-methoxy-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 62477125
(2S)-4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)azetidine-2-carboxamide
CID 59802652
3-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)furan-2-carboxamide
CID 31020779
2-(2,5-dimethylpyrrol-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110205820
5-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide
CID 35528644
(E)-3-(2-methoxyphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)prop-2-enamide
CID 51153506
(2S)-2-(2-methoxyphenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 34949890
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-pyrazole-5-carboxamide
CID 47177463
2-(4-hydroxyphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 78838052

Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)amino]acetate?
The IUPAC name of methyl 2-oxo-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)amino]acetate (CID 115142185) is methyl 2-oxo-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)amino]acetate.
What is the SMILES notation for methyl 2-oxo-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)amino]acetate?
The canonical SMILES for methyl 2-oxo-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)amino]acetate is COC(=O)C(=O)Nc1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of methyl 2-oxo-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)amino]acetate?
The InChIKey is OMZIZNOJDJKXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O5/c1-17-11(16)10(15)12-6-2-3-8-7(4-6)13-9(14)5-18-8/h2-4H,5H2,1H3,(H,12,15)(H,13,14).
What are the key properties of methyl 2-oxo-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)amino]acetate?
methyl 2-oxo-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)amino]acetate has a molecular weight of 250.21 g/mol, XLogP of 0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)amino]acetate is sourced from PubChem (CID 115142185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).