2-oxospiro[3,5-dihydro-1H-pyrido[3,2-b]indole-4,3'-cyclobutane]-1'-carboxylic acid

C15H14N2O3 — CID 50980852

IUPAC2-oxospiro[3,5-dihydro-1H-pyrido[3,2-b]indole-4,3'-cyclobutane]-1'-carboxylic acid
SMILESO=C1CC2(CC(C(=O)O)C2)c2[nH]c3ccccc3c2N1
InChIInChI=1S/C15H14N2O3/c18-11-7-15(5-8(6-15)14(19)20)13-12(17-11)9-3-1-2-4-10(9)16-13/h1-4,8,16H,5-7H2,(H,17,18)(H,19,20)
InChIKeyJBTZFZDNELCMQX-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.24
Rot. Bonds1

About 2-oxospiro[3,5-dihydro-1H-pyrido[3,2-b]indole-4,3'-cyclobutane]-1'-carboxylic acid

2-oxospiro[3,5-dihydro-1H-pyrido[3,2-b]indole-4,3'-cyclobutane]-1'-carboxylic acid (PubChem CID 50980852) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-oxospiro[3,5-dihydro-1H-pyrido[3,2-b]indole-4,3'-cyclobutane]-1'-carboxylic acid.

Molecular Properties

Compound Name2-oxospiro[3,5-dihydro-1H-pyrido[3,2-b]indole-4,3'-cyclobutane]-1'-carboxylic acid
PubChem CID50980852
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name2-oxospiro[3,5-dihydro-1H-pyrido[3,2-b]indole-4,3'-cyclobutane]-1'-carboxylic acid
SMILESO=C1CC2(CC(C(=O)O)C2)c2[nH]c3ccccc3c2N1
InChIInChI=1S/C15H14N2O3/c18-11-7-15(5-8(6-15)14(19)20)13-12(17-11)9-3-1-2-4-10(9)16-13/h1-4,8,16H,5-7H2,(H,17,18)(H,19,20)
InChIKeyJBTZFZDNELCMQX-UHFFFAOYSA-N
XLogP2.24
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

9H-carbazole;carbonic acid
CID 67577328
(3R)-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane]-3-carboxylic acid
CID 6919140
3,4,5,7-tetrahydro-1H-[1,5]diazocino[3,2-b]indole-2,6-dione
CID 170859462
acetic acid;spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane]-3-carboxylic acid
CID 44667494
1-(2-methyl-1H-indol-3-yl)cyclopropane-1,2-dicarboxylic acid
CID 116857995
(1S,4S)-5',5'-dimethyl-4-phenylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3'-cyclohexane]-1'-one
CID 2554408
N-(2-oxo-2-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylethyl)-2,2-diphenylacetamide
CID 42695534
2-benzoylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,1'-cyclohexane]-3-carboxylic acid
CID 146036440
5-(2-fluorophenyl)-3,6-dihydro-1H-[1,4]diazepino[6,5-b]indol-2-one
CID 118155746
4,4-dideuterio-3,9-dihydro-1H-pyrido[3,4-b]indole-2,3-dicarboxylic acid
CID 175928782
N-[3-(2-oxo-3,6-dihydro-1H-[1,4]diazepino[6,5-b]indol-5-yl)phenyl]benzamide
CID 118141615
5-(3-methyl-1H-indol-2-yl)imidazolidine-2,4-dione
CID 139630245

Frequently Asked Questions

What is the IUPAC name of 2-oxospiro[3,5-dihydro-1H-pyrido[3,2-b]indole-4,3'-cyclobutane]-1'-carboxylic acid?
The IUPAC name of 2-oxospiro[3,5-dihydro-1H-pyrido[3,2-b]indole-4,3'-cyclobutane]-1'-carboxylic acid (CID 50980852) is 2-oxospiro[3,5-dihydro-1H-pyrido[3,2-b]indole-4,3'-cyclobutane]-1'-carboxylic acid.
What is the SMILES notation for 2-oxospiro[3,5-dihydro-1H-pyrido[3,2-b]indole-4,3'-cyclobutane]-1'-carboxylic acid?
The canonical SMILES for 2-oxospiro[3,5-dihydro-1H-pyrido[3,2-b]indole-4,3'-cyclobutane]-1'-carboxylic acid is O=C1CC2(CC(C(=O)O)C2)c2[nH]c3ccccc3c2N1.
What is the InChIKey of 2-oxospiro[3,5-dihydro-1H-pyrido[3,2-b]indole-4,3'-cyclobutane]-1'-carboxylic acid?
The InChIKey is JBTZFZDNELCMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c18-11-7-15(5-8(6-15)14(19)20)13-12(17-11)9-3-1-2-4-10(9)16-13/h1-4,8,16H,5-7H2,(H,17,18)(H,19,20).
What are the key properties of 2-oxospiro[3,5-dihydro-1H-pyrido[3,2-b]indole-4,3'-cyclobutane]-1'-carboxylic acid?
2-oxospiro[3,5-dihydro-1H-pyrido[3,2-b]indole-4,3'-cyclobutane]-1'-carboxylic acid has a molecular weight of 270.29 g/mol, XLogP of 2.24, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxospiro[3,5-dihydro-1H-pyrido[3,2-b]indole-4,3'-cyclobutane]-1'-carboxylic acid is sourced from PubChem (CID 50980852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).