2-[(dimethylamino)methyl]-6-methyl-3-oxo-4H-pyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid

C11H15N3O4 — CID 82377601

IUPAC2-[(dimethylamino)methyl]-6-methyl-3-oxo-4H-pyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid
SMILESCN(C)CC1Oc2c(cn(C)c2C(=O)O)NC1=O
InChIInChI=1S/C11H15N3O4/c1-13(2)5-7-10(15)12-6-4-14(3)8(11(16)17)9(6)18-7/h4,7H,5H2,1-3H3,(H,12,15)(H,16,17)
InChIKeyYRMVPQLEXUPRKA-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.02
Rot. Bonds3

About 2-[(dimethylamino)methyl]-6-methyl-3-oxo-4H-pyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid

2-[(dimethylamino)methyl]-6-methyl-3-oxo-4H-pyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid (PubChem CID 82377601) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-6-methyl-3-oxo-4H-pyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-6-methyl-3-oxo-4H-pyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid
PubChem CID82377601
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-[(dimethylamino)methyl]-6-methyl-3-oxo-4H-pyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid
SMILESCN(C)CC1Oc2c(cn(C)c2C(=O)O)NC1=O
InChIInChI=1S/C11H15N3O4/c1-13(2)5-7-10(15)12-6-4-14(3)8(11(16)17)9(6)18-7/h4,7H,5H2,1-3H3,(H,12,15)(H,16,17)
InChIKeyYRMVPQLEXUPRKA-UHFFFAOYSA-N
XLogP-0.02
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(dimethylamino)methyl]-6-methyl-3-oxo-4H-pyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid with MolForge

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Related Compounds

2-[(dimethylamino)methyl]-3-oxo-4H-furo[3,2-b][1,4]oxazine-6-carboxylic acid
CID 82376803
6-methyl-3-oxospiro[4H-pyrrolo[3,4-b][1,4]oxazine-2,1'-cyclopropane]-7-carboxylic acid
CID 82377604
6-methyl-3-oxo-2-propan-2-yl-4H-pyrrolo[3,4-b][1,4]thiazine-7-carboxylic acid
CID 82377608
6-methyl-3-oxo-2-propyl-2,4-dihydro-1H-pyrrolo[3,4-b]pyrazine-5-carboxylic acid
CID 82375752
6-chloro-2-ethyl-3-oxo-4H-1,4-benzoxazine-8-carboxylic acid
CID 14771575
N-(4-methylpiperazin-1-yl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 9205856
N-(4-methylpiperazin-1-yl)-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 9205859
3-[(dimethylamino)methyl]-1-methyl-3,5-dihydro-2H-pyrrolo[2,3-b][1,4]oxazine-6-carboxylic acid
CID 82377464
6-(1-acetylpiperidine-4-carbonyl)-2-ethyl-4H-1,4-benzoxazin-3-one
CID 110220429
2-[(2R)-6-chloro-3-oxo-4H-1,4-benzoxazin-2-yl]acetic acid
CID 40507985
(2R)-2-(2-oxo-2-pyrrolidin-1-ylethyl)-4H-1,4-benzoxazin-3-one
CID 51409579
2-[(dimethylamino)methyl]-4-methyl-3,6-dihydro-2H-pyrrolo[3,4-b][1,4]oxazine-5-carboxylic acid
CID 82377495

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-6-methyl-3-oxo-4H-pyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid?
The IUPAC name of 2-[(dimethylamino)methyl]-6-methyl-3-oxo-4H-pyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid (CID 82377601) is 2-[(dimethylamino)methyl]-6-methyl-3-oxo-4H-pyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid.
What is the SMILES notation for 2-[(dimethylamino)methyl]-6-methyl-3-oxo-4H-pyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid?
The canonical SMILES for 2-[(dimethylamino)methyl]-6-methyl-3-oxo-4H-pyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid is CN(C)CC1Oc2c(cn(C)c2C(=O)O)NC1=O.
What is the InChIKey of 2-[(dimethylamino)methyl]-6-methyl-3-oxo-4H-pyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid?
The InChIKey is YRMVPQLEXUPRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-13(2)5-7-10(15)12-6-4-14(3)8(11(16)17)9(6)18-7/h4,7H,5H2,1-3H3,(H,12,15)(H,16,17).
What are the key properties of 2-[(dimethylamino)methyl]-6-methyl-3-oxo-4H-pyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid?
2-[(dimethylamino)methyl]-6-methyl-3-oxo-4H-pyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-6-methyl-3-oxo-4H-pyrrolo[3,4-b][1,4]oxazine-7-carboxylic acid is sourced from PubChem (CID 82377601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).