4-methylspiro[3H-furo[3,4-b][1,4]oxazine-2,1'-cyclopropane]-7-carboxylic acid

C10H11NO4 — CID 82376950

IUPAC4-methylspiro[3H-furo[3,4-b][1,4]oxazine-2,1'-cyclopropane]-7-carboxylic acid
SMILESCN1CC2(CC2)Oc2c1coc2C(=O)O
InChIInChI=1S/C10H11NO4/c1-11-5-10(2-3-10)15-7-6(11)4-14-8(7)9(12)13/h4H,2-3,5H2,1H3,(H,12,13)
InChIKeyUWWIXJANXWVKBA-UHFFFAOYSA-N
MW209.20 g/mol
LogP1.34
Rot. Bonds1

About 4-methylspiro[3H-furo[3,4-b][1,4]oxazine-2,1'-cyclopropane]-7-carboxylic acid

4-methylspiro[3H-furo[3,4-b][1,4]oxazine-2,1'-cyclopropane]-7-carboxylic acid (PubChem CID 82376950) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 4-methylspiro[3H-furo[3,4-b][1,4]oxazine-2,1'-cyclopropane]-7-carboxylic acid.

Molecular Properties

Compound Name4-methylspiro[3H-furo[3,4-b][1,4]oxazine-2,1'-cyclopropane]-7-carboxylic acid
PubChem CID82376950
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name4-methylspiro[3H-furo[3,4-b][1,4]oxazine-2,1'-cyclopropane]-7-carboxylic acid
SMILESCN1CC2(CC2)Oc2c1coc2C(=O)O
InChIInChI=1S/C10H11NO4/c1-11-5-10(2-3-10)15-7-6(11)4-14-8(7)9(12)13/h4H,2-3,5H2,1H3,(H,12,13)
InChIKeyUWWIXJANXWVKBA-UHFFFAOYSA-N
XLogP1.34
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-1-methylspiro[2H-furo[3,4-b]pyrazine-3,1'-cyclopropane]-7-carboxylic acid
CID 82376922
1,5-dimethylspiro[2H-pyrrolo[2,3-b][1,4]oxazine-3,1'-cyclopentane]-6-carboxylic acid
CID 82377641
spiro[3,4-dihydrofuro[3,4-b][1,4]oxazine-2,1'-cyclohexane]-7-carboxylic acid
CID 82377124
2,2,4-trimethyl-3H-1,4-benzoxazine-8-carboxylic acid
CID 19780143
2-(5-oxo-4-oxa-6-azaspiro[2.4]heptan-6-yl)benzoic acid
CID 105492180
(5S)-3-methyl-9-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95717355
(5S)-3-methyl-2-oxo-N-phenyl-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
CID 95713099
2-(7,8-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)acetic acid
CID 82047408
1'-acetylspiro[4H-[1,4]oxazino[4,3-a]indole-3,4'-piperidine]-1-one
CID 92549022
(5S)-9-[3-(1,3-dihydroisoindol-2-yl)propanoyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95719735
3-methyl-2-oxo-N-[(2S)-2-phenylpropyl]-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
CID 126434188
(5S)-3-methyl-9-(2-methylsulfanylpyrimidin-4-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95715601

Frequently Asked Questions

What is the IUPAC name of 4-methylspiro[3H-furo[3,4-b][1,4]oxazine-2,1'-cyclopropane]-7-carboxylic acid?
The IUPAC name of 4-methylspiro[3H-furo[3,4-b][1,4]oxazine-2,1'-cyclopropane]-7-carboxylic acid (CID 82376950) is 4-methylspiro[3H-furo[3,4-b][1,4]oxazine-2,1'-cyclopropane]-7-carboxylic acid.
What is the SMILES notation for 4-methylspiro[3H-furo[3,4-b][1,4]oxazine-2,1'-cyclopropane]-7-carboxylic acid?
The canonical SMILES for 4-methylspiro[3H-furo[3,4-b][1,4]oxazine-2,1'-cyclopropane]-7-carboxylic acid is CN1CC2(CC2)Oc2c1coc2C(=O)O.
What is the InChIKey of 4-methylspiro[3H-furo[3,4-b][1,4]oxazine-2,1'-cyclopropane]-7-carboxylic acid?
The InChIKey is UWWIXJANXWVKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-11-5-10(2-3-10)15-7-6(11)4-14-8(7)9(12)13/h4H,2-3,5H2,1H3,(H,12,13).
What are the key properties of 4-methylspiro[3H-furo[3,4-b][1,4]oxazine-2,1'-cyclopropane]-7-carboxylic acid?
4-methylspiro[3H-furo[3,4-b][1,4]oxazine-2,1'-cyclopropane]-7-carboxylic acid has a molecular weight of 209.20 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylspiro[3H-furo[3,4-b][1,4]oxazine-2,1'-cyclopropane]-7-carboxylic acid is sourced from PubChem (CID 82376950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).