3-oxospiro[4,6-dihydropyrrolo[3,4-b][1,4]oxazine-2,1'-cyclopropane]-5-carboxylic acid

C9H8N2O4 — CID 82377426

IUPAC3-oxospiro[4,6-dihydropyrrolo[3,4-b][1,4]oxazine-2,1'-cyclopropane]-5-carboxylic acid
SMILESO=C(O)c1[nH]cc2c1NC(=O)C1(CC1)O2
InChIInChI=1S/C9H8N2O4/c12-7(13)6-5-4(3-10-6)15-9(1-2-9)8(14)11-5/h3,10H,1-2H2,(H,11,14)(H,12,13)
InChIKeyLNWKANCQJHNXMJ-UHFFFAOYSA-N
MW208.17 g/mol
LogP0.58
Rot. Bonds1

About 3-oxospiro[4,6-dihydropyrrolo[3,4-b][1,4]oxazine-2,1'-cyclopropane]-5-carboxylic acid

3-oxospiro[4,6-dihydropyrrolo[3,4-b][1,4]oxazine-2,1'-cyclopropane]-5-carboxylic acid (PubChem CID 82377426) has the molecular formula C9H8N2O4 and a molecular weight of 208.17 g/mol. Its IUPAC name is 3-oxospiro[4,6-dihydropyrrolo[3,4-b][1,4]oxazine-2,1'-cyclopropane]-5-carboxylic acid.

Molecular Properties

Compound Name3-oxospiro[4,6-dihydropyrrolo[3,4-b][1,4]oxazine-2,1'-cyclopropane]-5-carboxylic acid
PubChem CID82377426
Molecular FormulaC9H8N2O4
Molecular Weight208.17 g/mol
Exact Mass208.05
IUPAC Name3-oxospiro[4,6-dihydropyrrolo[3,4-b][1,4]oxazine-2,1'-cyclopropane]-5-carboxylic acid
SMILESO=C(O)c1[nH]cc2c1NC(=O)C1(CC1)O2
InChIInChI=1S/C9H8N2O4/c12-7(13)6-5-4(3-10-6)15-9(1-2-9)8(14)11-5/h3,10H,1-2H2,(H,11,14)(H,12,13)
InChIKeyLNWKANCQJHNXMJ-UHFFFAOYSA-N
XLogP0.58
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-oxospiro[4,6-dihydropyrrolo[3,4-b][1,4]oxazine-2,1'-cyclopropane]-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-oxospiro[5H-pyridazino[3,4-b][1,4]oxazine-7,1'-cyclopropane]-3-carboxylic acid
CID 167003465
6-methyl-3-oxospiro[4H-pyrrolo[3,4-b][1,4]oxazine-2,1'-cyclopropane]-7-carboxylic acid
CID 82377604
2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,1'-cyclopropane]-7-carboxylic acid
CID 167003420
7-chlorospiro[4H-1,4-benzoxazine-2,1'-cyclopropane]-3-one
CID 115097111
6-chlorospiro[4H-1,4-benzoxazine-2,1'-cyclopropane]-3-one
CID 115097029
2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,1'-cyclobutane]-7-carboxylic acid
CID 167003127
6-fluoro-3-oxospiro[4H-1,4-benzoxazine-2,1'-cyclopropane]-7-carbonitrile
CID 118193976
7-fluorospiro[4H-1,4-benzoxazine-2,1'-cyclobutane]-3-one
CID 115097478
7-methylspiro[4H-1,4-benzoxazine-2,1'-cyclohexane]-3-one
CID 115098131
4-oxospiro[2,5-dihydro-1,5-benzoxazepine-3,1'-cyclohexane]-6-carboxylic acid
CID 115100144
2-[(dimethylamino)methyl]-4-methyl-3,6-dihydro-2H-pyrrolo[3,4-b][1,4]oxazine-5-carboxylic acid
CID 82377495
(2R,2'S)-5,7-difluoro-3-oxospiro[4H-1,4-benzoxazine-2,4'-pyrrolidine]-2'-carboxamide;hydrochloride
CID 171550038

Frequently Asked Questions

What is the IUPAC name of 3-oxospiro[4,6-dihydropyrrolo[3,4-b][1,4]oxazine-2,1'-cyclopropane]-5-carboxylic acid?
The IUPAC name of 3-oxospiro[4,6-dihydropyrrolo[3,4-b][1,4]oxazine-2,1'-cyclopropane]-5-carboxylic acid (CID 82377426) is 3-oxospiro[4,6-dihydropyrrolo[3,4-b][1,4]oxazine-2,1'-cyclopropane]-5-carboxylic acid.
What is the SMILES notation for 3-oxospiro[4,6-dihydropyrrolo[3,4-b][1,4]oxazine-2,1'-cyclopropane]-5-carboxylic acid?
The canonical SMILES for 3-oxospiro[4,6-dihydropyrrolo[3,4-b][1,4]oxazine-2,1'-cyclopropane]-5-carboxylic acid is O=C(O)c1[nH]cc2c1NC(=O)C1(CC1)O2.
What is the InChIKey of 3-oxospiro[4,6-dihydropyrrolo[3,4-b][1,4]oxazine-2,1'-cyclopropane]-5-carboxylic acid?
The InChIKey is LNWKANCQJHNXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O4/c12-7(13)6-5-4(3-10-6)15-9(1-2-9)8(14)11-5/h3,10H,1-2H2,(H,11,14)(H,12,13).
What are the key properties of 3-oxospiro[4,6-dihydropyrrolo[3,4-b][1,4]oxazine-2,1'-cyclopropane]-5-carboxylic acid?
3-oxospiro[4,6-dihydropyrrolo[3,4-b][1,4]oxazine-2,1'-cyclopropane]-5-carboxylic acid has a molecular weight of 208.17 g/mol, XLogP of 0.58, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxospiro[4,6-dihydropyrrolo[3,4-b][1,4]oxazine-2,1'-cyclopropane]-5-carboxylic acid is sourced from PubChem (CID 82377426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).