1,5-dimethylspiro[2H-pyrrolo[2,3-b][1,4]oxazine-3,1'-cyclopentane]-6-carboxylic acid

C13H18N2O3 — CID 82377641

IUPAC1,5-dimethylspiro[2H-pyrrolo[2,3-b][1,4]oxazine-3,1'-cyclopentane]-6-carboxylic acid
SMILESCN1CC2(CCCC2)Oc2c1cc(C(=O)O)n2C
InChIInChI=1S/C13H18N2O3/c1-14-8-13(5-3-4-6-13)18-11-9(14)7-10(12(16)17)15(11)2/h7H,3-6,8H2,1-2H3,(H,16,17)
InChIKeyUTBODBJWJSSEII-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.86
Rot. Bonds1

About 1,5-dimethylspiro[2H-pyrrolo[2,3-b][1,4]oxazine-3,1'-cyclopentane]-6-carboxylic acid

1,5-dimethylspiro[2H-pyrrolo[2,3-b][1,4]oxazine-3,1'-cyclopentane]-6-carboxylic acid (PubChem CID 82377641) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1,5-dimethylspiro[2H-pyrrolo[2,3-b][1,4]oxazine-3,1'-cyclopentane]-6-carboxylic acid.

Molecular Properties

Compound Name1,5-dimethylspiro[2H-pyrrolo[2,3-b][1,4]oxazine-3,1'-cyclopentane]-6-carboxylic acid
PubChem CID82377641
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name1,5-dimethylspiro[2H-pyrrolo[2,3-b][1,4]oxazine-3,1'-cyclopentane]-6-carboxylic acid
SMILESCN1CC2(CCCC2)Oc2c1cc(C(=O)O)n2C
InChIInChI=1S/C13H18N2O3/c1-14-8-13(5-3-4-6-13)18-11-9(14)7-10(12(16)17)15(11)2/h7H,3-6,8H2,1-2H3,(H,16,17)
InChIKeyUTBODBJWJSSEII-UHFFFAOYSA-N
XLogP1.86
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,5-dimethylspiro[2H-pyrrolo[2,3-b][1,4]oxazine-3,1'-cyclopentane]-6-carboxylic acid with MolForge

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Related Compounds

5-methylspiro[3,4-dihydropyrrolo[3,2-b][1,4]oxazine-2,1'-cyclohexane]-6-carboxylic acid
CID 82377689
4-methylspiro[3H-furo[3,4-b][1,4]oxazine-2,1'-cyclopropane]-7-carboxylic acid
CID 82376950
3-methyl-9-(5-methyl-1H-pyrazole-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 56907295
(5S)-3-methyl-2-oxo-N-phenyl-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
CID 95713099
1-methyl-4,5,6,7-tetrahydroindole-2-carboxylic acid
CID 83816824
9-(4,6-dimethylpyridine-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56907002
1-methyl-4-oxospiro[2,5-dihydro-1,5-benzodiazepine-3,1'-cyclohexane]-7-carboxylic acid
CID 115100184
2-hydroxy-5-[[(5R)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl]methyl]benzoic acid
CID 95874333
(5R)-3-methyl-9-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 126444687
(5R)-3-methyl-9-[1-(4-methylphenyl)cyclopropanecarbonyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95722297
3-fluoro-5-[(5S)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carbonyl]benzonitrile
CID 95713207
(5R)-3-methyl-9-[5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbonyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95725668

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethylspiro[2H-pyrrolo[2,3-b][1,4]oxazine-3,1'-cyclopentane]-6-carboxylic acid?
The IUPAC name of 1,5-dimethylspiro[2H-pyrrolo[2,3-b][1,4]oxazine-3,1'-cyclopentane]-6-carboxylic acid (CID 82377641) is 1,5-dimethylspiro[2H-pyrrolo[2,3-b][1,4]oxazine-3,1'-cyclopentane]-6-carboxylic acid.
What is the SMILES notation for 1,5-dimethylspiro[2H-pyrrolo[2,3-b][1,4]oxazine-3,1'-cyclopentane]-6-carboxylic acid?
The canonical SMILES for 1,5-dimethylspiro[2H-pyrrolo[2,3-b][1,4]oxazine-3,1'-cyclopentane]-6-carboxylic acid is CN1CC2(CCCC2)Oc2c1cc(C(=O)O)n2C.
What is the InChIKey of 1,5-dimethylspiro[2H-pyrrolo[2,3-b][1,4]oxazine-3,1'-cyclopentane]-6-carboxylic acid?
The InChIKey is UTBODBJWJSSEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-14-8-13(5-3-4-6-13)18-11-9(14)7-10(12(16)17)15(11)2/h7H,3-6,8H2,1-2H3,(H,16,17).
What are the key properties of 1,5-dimethylspiro[2H-pyrrolo[2,3-b][1,4]oxazine-3,1'-cyclopentane]-6-carboxylic acid?
1,5-dimethylspiro[2H-pyrrolo[2,3-b][1,4]oxazine-3,1'-cyclopentane]-6-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethylspiro[2H-pyrrolo[2,3-b][1,4]oxazine-3,1'-cyclopentane]-6-carboxylic acid is sourced from PubChem (CID 82377641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).