methyl 2-hydroxy-2-(3-oxo-4H-1,4-benzoxazin-8-yl)acetate

C11H11NO5 — CID 117346035

IUPACmethyl 2-hydroxy-2-(3-oxo-4H-1,4-benzoxazin-8-yl)acetate
SMILESCOC(=O)C(O)c1cccc2c1OCC(=O)N2
InChIInChI=1S/C11H11NO5/c1-16-11(15)9(14)6-3-2-4-7-10(6)17-5-8(13)12-7/h2-4,9,14H,5H2,1H3,(H,12,13)
InChIKeyDACWGKDBOQCDBM-UHFFFAOYSA-N
MW237.21 g/mol
LogP0.22
Rot. Bonds2

About methyl 2-hydroxy-2-(3-oxo-4H-1,4-benzoxazin-8-yl)acetate

methyl 2-hydroxy-2-(3-oxo-4H-1,4-benzoxazin-8-yl)acetate (PubChem CID 117346035) has the molecular formula C11H11NO5 and a molecular weight of 237.21 g/mol. Its IUPAC name is methyl 2-hydroxy-2-(3-oxo-4H-1,4-benzoxazin-8-yl)acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-(3-oxo-4H-1,4-benzoxazin-8-yl)acetate
PubChem CID117346035
Molecular FormulaC11H11NO5
Molecular Weight237.21 g/mol
Exact Mass237.06
IUPAC Namemethyl 2-hydroxy-2-(3-oxo-4H-1,4-benzoxazin-8-yl)acetate
SMILESCOC(=O)C(O)c1cccc2c1OCC(=O)N2
InChIInChI=1S/C11H11NO5/c1-16-11(15)9(14)6-3-2-4-7-10(6)17-5-8(13)12-7/h2-4,9,14H,5H2,1H3,(H,12,13)
InChIKeyDACWGKDBOQCDBM-UHFFFAOYSA-N
XLogP0.22
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-hydroxy-2-(3-oxo-4H-1,4-benzoxazin-8-yl)acetate 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

8-(2-amino-1-hydroxyethyl)-4H-1,4-benzoxazin-3-one
CID 118692879
3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-8-carboxamide
CID 110701488
8-ethyl-4H-1,4-benzoxazin-3-one
CID 68908542
N-(3-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 110701603
N-(3-methylbutyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 110701561
N-[(1R)-1-(4-ethoxyphenyl)-2-methoxyethyl]-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 166180863
3-oxo-N,N-dipropyl-4H-1,4-benzoxazine-8-carboxamide
CID 110701565
4-(3-oxo-4H-1,4-benzoxazin-8-yl)butanoic acid
CID 117341847
8-(dimethylsulfamoylamino)-3-oxo-4H-1,4-benzoxazine
CID 110291818
3-oxo-4H-1,4-benzoxazine-8-sulfonyl chloride
CID 55279078
methyl 2-(3-oxo-4H-1,4-benzoxazin-6-yl)butanoate
CID 116964414
3-(2-fluorophenyl)-2-methyl-N-(3-oxo-4H-1,4-benzoxazin-8-yl)propanamide
CID 110309220

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-(3-oxo-4H-1,4-benzoxazin-8-yl)acetate?
The IUPAC name of methyl 2-hydroxy-2-(3-oxo-4H-1,4-benzoxazin-8-yl)acetate (CID 117346035) is methyl 2-hydroxy-2-(3-oxo-4H-1,4-benzoxazin-8-yl)acetate.
What is the SMILES notation for methyl 2-hydroxy-2-(3-oxo-4H-1,4-benzoxazin-8-yl)acetate?
The canonical SMILES for methyl 2-hydroxy-2-(3-oxo-4H-1,4-benzoxazin-8-yl)acetate is COC(=O)C(O)c1cccc2c1OCC(=O)N2.
What is the InChIKey of methyl 2-hydroxy-2-(3-oxo-4H-1,4-benzoxazin-8-yl)acetate?
The InChIKey is DACWGKDBOQCDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO5/c1-16-11(15)9(14)6-3-2-4-7-10(6)17-5-8(13)12-7/h2-4,9,14H,5H2,1H3,(H,12,13).
What are the key properties of methyl 2-hydroxy-2-(3-oxo-4H-1,4-benzoxazin-8-yl)acetate?
methyl 2-hydroxy-2-(3-oxo-4H-1,4-benzoxazin-8-yl)acetate has a molecular weight of 237.21 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-(3-oxo-4H-1,4-benzoxazin-8-yl)acetate is sourced from PubChem (CID 117346035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).