2-[(dimethylamino)methyl]-3-oxo-4H-furo[3,2-b][1,4]oxazine-6-carboxylic acid

C10H12N2O5 — CID 82376803

IUPAC2-[(dimethylamino)methyl]-3-oxo-4H-furo[3,2-b][1,4]oxazine-6-carboxylic acid
SMILESCN(C)CC1Oc2cc(C(=O)O)oc2NC1=O
InChIInChI=1S/C10H12N2O5/c1-12(2)4-7-8(13)11-9-5(16-7)3-6(17-9)10(14)15/h3,7H,4H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyPXMVDZFXNZPCSV-UHFFFAOYSA-N
MW240.21 g/mol
LogP0.24
Rot. Bonds3

About 2-[(dimethylamino)methyl]-3-oxo-4H-furo[3,2-b][1,4]oxazine-6-carboxylic acid

2-[(dimethylamino)methyl]-3-oxo-4H-furo[3,2-b][1,4]oxazine-6-carboxylic acid (PubChem CID 82376803) has the molecular formula C10H12N2O5 and a molecular weight of 240.21 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-3-oxo-4H-furo[3,2-b][1,4]oxazine-6-carboxylic acid.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-3-oxo-4H-furo[3,2-b][1,4]oxazine-6-carboxylic acid
PubChem CID82376803
Molecular FormulaC10H12N2O5
Molecular Weight240.21 g/mol
Exact Mass240.07
IUPAC Name2-[(dimethylamino)methyl]-3-oxo-4H-furo[3,2-b][1,4]oxazine-6-carboxylic acid
SMILESCN(C)CC1Oc2cc(C(=O)O)oc2NC1=O
InChIInChI=1S/C10H12N2O5/c1-12(2)4-7-8(13)11-9-5(16-7)3-6(17-9)10(14)15/h3,7H,4H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyPXMVDZFXNZPCSV-UHFFFAOYSA-N
XLogP0.24
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(dimethylamino)methyl]-3-oxo-4H-furo[3,2-b][1,4]oxazine-6-carboxylic acid with MolForge

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Related Compounds

2-[(dimethylamino)methyl]-6-methyl-3-oxo-4H-pyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid
CID 82377601
2,2-dimethyl-3-oxo-4H-furo[3,2-b][1,4]thiazine-6-carboxylic acid
CID 82376797
3-oxo-2-(2-phenylethyl)-4H-1,4-benzoxazine-7-carboxylic acid
CID 142671786
2-[(2R)-6-chloro-3-oxo-4H-1,4-benzoxazin-2-yl]acetic acid
CID 40507985
2-[[4-(dimethylamino)phenyl]methyl]-6-hydroxy-4H-1,4-benzoxazin-3-one
CID 82228734
6-ethyl-4-oxopyran-2-carboxylic acid
CID 83529330
3-[(dimethylamino)methyl]-1-methyl-3,5-dihydro-2H-pyrrolo[2,3-b][1,4]oxazine-6-carboxylic acid
CID 82377464
4-bromo-5-[cyclobutyl(methyl)amino]furan-2-carboxylic acid
CID 164646538
5-[(4-acetylphenyl)methyl]-1,3-oxazolidine-2,4-dione
CID 82390134
5-bromo-4-(dimethylsulfamoyl)furan-2-carboxylic acid
CID 62805600
methyl 2-(2-bromoethyl)-3-oxo-4H-1,4-benzoxazine-7-carboxylate
CID 142671791
5-bromo-4-[cyclohexylmethyl(methyl)sulfamoyl]furan-2-carboxylic acid
CID 62829354

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-3-oxo-4H-furo[3,2-b][1,4]oxazine-6-carboxylic acid?
The IUPAC name of 2-[(dimethylamino)methyl]-3-oxo-4H-furo[3,2-b][1,4]oxazine-6-carboxylic acid (CID 82376803) is 2-[(dimethylamino)methyl]-3-oxo-4H-furo[3,2-b][1,4]oxazine-6-carboxylic acid.
What is the SMILES notation for 2-[(dimethylamino)methyl]-3-oxo-4H-furo[3,2-b][1,4]oxazine-6-carboxylic acid?
The canonical SMILES for 2-[(dimethylamino)methyl]-3-oxo-4H-furo[3,2-b][1,4]oxazine-6-carboxylic acid is CN(C)CC1Oc2cc(C(=O)O)oc2NC1=O.
What is the InChIKey of 2-[(dimethylamino)methyl]-3-oxo-4H-furo[3,2-b][1,4]oxazine-6-carboxylic acid?
The InChIKey is PXMVDZFXNZPCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5/c1-12(2)4-7-8(13)11-9-5(16-7)3-6(17-9)10(14)15/h3,7H,4H2,1-2H3,(H,11,13)(H,14,15).
What are the key properties of 2-[(dimethylamino)methyl]-3-oxo-4H-furo[3,2-b][1,4]oxazine-6-carboxylic acid?
2-[(dimethylamino)methyl]-3-oxo-4H-furo[3,2-b][1,4]oxazine-6-carboxylic acid has a molecular weight of 240.21 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-3-oxo-4H-furo[3,2-b][1,4]oxazine-6-carboxylic acid is sourced from PubChem (CID 82376803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).