1-(4-methyl-3-oxopyrido[3,2-b][1,4]oxazin-2-yl)cyclopropane-1-carboxylic acid

C12H12N2O4 — CID 116990554

IUPAC1-(4-methyl-3-oxopyrido[3,2-b][1,4]oxazin-2-yl)cyclopropane-1-carboxylic acid
SMILESCN1C(=O)C(C2(C(=O)O)CC2)Oc2cccnc21
InChIInChI=1S/C12H12N2O4/c1-14-9-7(3-2-6-13-9)18-8(10(14)15)12(4-5-12)11(16)17/h2-3,6,8H,4-5H2,1H3,(H,16,17)
InChIKeyFGSMISPJVROCTC-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.67
Rot. Bonds2

About 1-(4-methyl-3-oxopyrido[3,2-b][1,4]oxazin-2-yl)cyclopropane-1-carboxylic acid

1-(4-methyl-3-oxopyrido[3,2-b][1,4]oxazin-2-yl)cyclopropane-1-carboxylic acid (PubChem CID 116990554) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 1-(4-methyl-3-oxopyrido[3,2-b][1,4]oxazin-2-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-methyl-3-oxopyrido[3,2-b][1,4]oxazin-2-yl)cyclopropane-1-carboxylic acid
PubChem CID116990554
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name1-(4-methyl-3-oxopyrido[3,2-b][1,4]oxazin-2-yl)cyclopropane-1-carboxylic acid
SMILESCN1C(=O)C(C2(C(=O)O)CC2)Oc2cccnc21
InChIInChI=1S/C12H12N2O4/c1-14-9-7(3-2-6-13-9)18-8(10(14)15)12(4-5-12)11(16)17/h2-3,6,8H,4-5H2,1H3,(H,16,17)
InChIKeyFGSMISPJVROCTC-UHFFFAOYSA-N
XLogP0.67
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-hydroxyethyl)-4-methylpyrido[3,2-b][1,4]oxazin-3-one
CID 116990504
3-iodo-5-methylspiro[3H-pyrido[3,2-b][1,4]oxazepine-2,1'-cyclopropane]-4-one
CID 130314126
3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-2-yl)oxetane-3-carboxylic acid
CID 116990440
2,5-dimethyl-3-(methylamino)-2,3-dihydropyrido[3,2-b][1,4]oxazepin-4-one
CID 130340591
2-(1-amino-2-hydroxyethyl)-4-methylpyrido[3,2-b][1,4]oxazin-3-one
CID 116990549
4-methyl-2-[4-(methylamino)phenyl]pyrido[3,2-b][1,4]oxazin-3-one
CID 116990496
3-amino-5-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazepin-4-one;hydrochloride
CID 130298996
2-(1-aminopropan-2-yl)-4-methylpyrido[3,2-b][1,4]oxazin-3-one
CID 116990467
3-azido-5-methylspiro[3H-pyrido[3,2-b][1,4]oxazepine-2,1'-cyclopropane]-4-one
CID 130314125
N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-5-(1-phenylcyclopropyl)-1H-pyrazole-3-carboxamide
CID 130299263
(2-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)-phenylmethanone
CID 71327059
(Z)-2-amino-3-[amino(benzyl)amino]-N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]prop-2-enamide
CID 146842205

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-3-oxopyrido[3,2-b][1,4]oxazin-2-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(4-methyl-3-oxopyrido[3,2-b][1,4]oxazin-2-yl)cyclopropane-1-carboxylic acid (CID 116990554) is 1-(4-methyl-3-oxopyrido[3,2-b][1,4]oxazin-2-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(4-methyl-3-oxopyrido[3,2-b][1,4]oxazin-2-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(4-methyl-3-oxopyrido[3,2-b][1,4]oxazin-2-yl)cyclopropane-1-carboxylic acid is CN1C(=O)C(C2(C(=O)O)CC2)Oc2cccnc21.
What is the InChIKey of 1-(4-methyl-3-oxopyrido[3,2-b][1,4]oxazin-2-yl)cyclopropane-1-carboxylic acid?
The InChIKey is FGSMISPJVROCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-14-9-7(3-2-6-13-9)18-8(10(14)15)12(4-5-12)11(16)17/h2-3,6,8H,4-5H2,1H3,(H,16,17).
What are the key properties of 1-(4-methyl-3-oxopyrido[3,2-b][1,4]oxazin-2-yl)cyclopropane-1-carboxylic acid?
1-(4-methyl-3-oxopyrido[3,2-b][1,4]oxazin-2-yl)cyclopropane-1-carboxylic acid has a molecular weight of 248.24 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-3-oxopyrido[3,2-b][1,4]oxazin-2-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 116990554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).