2-methyl-3,4-dihydro-2H-furo[3,4-b][1,4]oxazine-5-carboxylic acid

C8H9NO4 — CID 82377148

IUPAC2-methyl-3,4-dihydro-2H-furo[3,4-b][1,4]oxazine-5-carboxylic acid
SMILESCC1CNc2c(coc2C(=O)O)O1
InChIInChI=1S/C8H9NO4/c1-4-2-9-6-5(13-4)3-12-7(6)8(10)11/h3-4,9H,2H2,1H3,(H,10,11)
InChIKeyDTZCOPGKLUJRLY-UHFFFAOYSA-N
MW183.16 g/mol
LogP1.17
Rot. Bonds1

About 2-methyl-3,4-dihydro-2H-furo[3,4-b][1,4]oxazine-5-carboxylic acid

2-methyl-3,4-dihydro-2H-furo[3,4-b][1,4]oxazine-5-carboxylic acid (PubChem CID 82377148) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is 2-methyl-3,4-dihydro-2H-furo[3,4-b][1,4]oxazine-5-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3,4-dihydro-2H-furo[3,4-b][1,4]oxazine-5-carboxylic acid
PubChem CID82377148
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name2-methyl-3,4-dihydro-2H-furo[3,4-b][1,4]oxazine-5-carboxylic acid
SMILESCC1CNc2c(coc2C(=O)O)O1
InChIInChI=1S/C8H9NO4/c1-4-2-9-6-5(13-4)3-12-7(6)8(10)11/h3-4,9H,2H2,1H3,(H,10,11)
InChIKeyDTZCOPGKLUJRLY-UHFFFAOYSA-N
XLogP1.17
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-3,4-dihydro-2H-furo[3,4-b][1,4]oxazine-5-carboxylic acid with MolForge

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Related Compounds

3-oxo-2-pentan-3-yl-4H-furo[3,4-b][1,4]oxazine-5-carboxylic acid
CID 82376892
3-oxo-4H-furo[3,4-b][1,4]oxazine-5-carboxylic acid
CID 82376894
2-methyl-3,4-dihydro-2H-1,4-benzoxazin-7-ol
CID 69369715
2,6,7-trimethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 82229720
6-chloro-7-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 82720878
1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-pyrrolidin-1-ylpropan-1-one
CID 82260924
spiro[2,4-dihydro-1H-furo[3,4-b]pyrazine-3,1'-cyclohexane]-5-carboxylic acid
CID 82377104
2-[[2-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-oxoethyl]amino]propanoic acid
CID 82261647
(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)boronic acid
CID 167718558
2-(butan-2-ylamino)-1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-1-one
CID 82261602
(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 94804094
2-methyl-6-methylsulfonyl-3,4-dihydro-2H-1,4-benzoxazine
CID 80503022

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,4-dihydro-2H-furo[3,4-b][1,4]oxazine-5-carboxylic acid?
The IUPAC name of 2-methyl-3,4-dihydro-2H-furo[3,4-b][1,4]oxazine-5-carboxylic acid (CID 82377148) is 2-methyl-3,4-dihydro-2H-furo[3,4-b][1,4]oxazine-5-carboxylic acid.
What is the SMILES notation for 2-methyl-3,4-dihydro-2H-furo[3,4-b][1,4]oxazine-5-carboxylic acid?
The canonical SMILES for 2-methyl-3,4-dihydro-2H-furo[3,4-b][1,4]oxazine-5-carboxylic acid is CC1CNc2c(coc2C(=O)O)O1.
What is the InChIKey of 2-methyl-3,4-dihydro-2H-furo[3,4-b][1,4]oxazine-5-carboxylic acid?
The InChIKey is DTZCOPGKLUJRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4/c1-4-2-9-6-5(13-4)3-12-7(6)8(10)11/h3-4,9H,2H2,1H3,(H,10,11).
What are the key properties of 2-methyl-3,4-dihydro-2H-furo[3,4-b][1,4]oxazine-5-carboxylic acid?
2-methyl-3,4-dihydro-2H-furo[3,4-b][1,4]oxazine-5-carboxylic acid has a molecular weight of 183.16 g/mol, XLogP of 1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4-dihydro-2H-furo[3,4-b][1,4]oxazine-5-carboxylic acid is sourced from PubChem (CID 82377148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).