2,4,6-trimethyl-2,3-dihydropyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid

C10H14N2O3 — CID 82377650

IUPAC2,4,6-trimethyl-2,3-dihydropyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid
SMILESCC1CN(C)c2cn(C)c(C(=O)O)c2O1
InChIInChI=1S/C10H14N2O3/c1-6-4-11(2)7-5-12(3)8(10(13)14)9(7)15-6/h5-6H,4H2,1-3H3,(H,13,14)
InChIKeyDBHQYMUGQGTADG-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.94
Rot. Bonds1

About 2,4,6-trimethyl-2,3-dihydropyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid

2,4,6-trimethyl-2,3-dihydropyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid (PubChem CID 82377650) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2,4,6-trimethyl-2,3-dihydropyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid.

Molecular Properties

Compound Name2,4,6-trimethyl-2,3-dihydropyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid
PubChem CID82377650
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2,4,6-trimethyl-2,3-dihydropyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid
SMILESCC1CN(C)c2cn(C)c(C(=O)O)c2O1
InChIInChI=1S/C10H14N2O3/c1-6-4-11(2)7-5-12(3)8(10(13)14)9(7)15-6/h5-6H,4H2,1-3H3,(H,13,14)
InChIKeyDBHQYMUGQGTADG-UHFFFAOYSA-N
XLogP0.94
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethyl-3,6-dihydro-2H-pyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid
CID 82377480
2,4-dimethyl-2,3-dihydrothieno[3,4-b][1,4]oxazine-5-carboxylic acid
CID 82376453
2,4,6-trimethyl-2,3-dihydropyrrolo[3,4-b][1,4]thiazine-5-carboxylic acid
CID 82377750
2,4-dimethyl-2,3-dihydropyrido[4,3-b][1,4]oxazin-8-amine
CID 171622735
8-tert-butyl-2,4-dimethyl-2,3-dihydro-1,4-benzoxazine
CID 82230918
1,3-dimethyl-2,3-dihydropyrido[2,3-b][1,4]oxazine
CID 150405091
2-amino-1-(2,4-dimethyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanone
CID 82340245
2,4-dimethyl-6-oxo-3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carboxylic acid
CID 90283410
6-methyl-2-pentan-3-yl-3,4-dihydro-2H-pyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid
CID 82377706
6-methyl-3-oxospiro[4H-pyrrolo[3,4-b][1,4]oxazine-2,1'-cyclopropane]-7-carboxylic acid
CID 82377604
2-[(dimethylamino)methyl]-6-methyl-3-oxo-4H-pyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid
CID 82377601
5,6-bis(ethenyl)-2,4-dimethyl-2,3-dihydro-1,4-oxazine
CID 155717286

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-2,3-dihydropyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid?
The IUPAC name of 2,4,6-trimethyl-2,3-dihydropyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid (CID 82377650) is 2,4,6-trimethyl-2,3-dihydropyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid.
What is the SMILES notation for 2,4,6-trimethyl-2,3-dihydropyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid?
The canonical SMILES for 2,4,6-trimethyl-2,3-dihydropyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid is CC1CN(C)c2cn(C)c(C(=O)O)c2O1.
What is the InChIKey of 2,4,6-trimethyl-2,3-dihydropyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid?
The InChIKey is DBHQYMUGQGTADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-6-4-11(2)7-5-12(3)8(10(13)14)9(7)15-6/h5-6H,4H2,1-3H3,(H,13,14).
What are the key properties of 2,4,6-trimethyl-2,3-dihydropyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid?
2,4,6-trimethyl-2,3-dihydropyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid has a molecular weight of 210.23 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-2,3-dihydropyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid is sourced from PubChem (CID 82377650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).