1-(2-oxopropyl)-2,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid

C15H16N2O3 — CID 171976095

IUPAC1-(2-oxopropyl)-2,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid
SMILESCC(=O)CC1(C(=O)O)NCCc2c1[nH]c1ccccc21
InChIInChI=1S/C15H16N2O3/c1-9(18)8-15(14(19)20)13-11(6-7-16-15)10-4-2-3-5-12(10)17-13/h2-5,16-17H,6-8H2,1H3,(H,19,20)
InChIKeyCILZNMWYMGJCMK-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.57
Rot. Bonds3

About 1-(2-oxopropyl)-2,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid

1-(2-oxopropyl)-2,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid (PubChem CID 171976095) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-(2-oxopropyl)-2,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-oxopropyl)-2,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid
PubChem CID171976095
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name1-(2-oxopropyl)-2,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid
SMILESCC(=O)CC1(C(=O)O)NCCc2c1[nH]c1ccccc21
InChIInChI=1S/C15H16N2O3/c1-9(18)8-15(14(19)20)13-11(6-7-16-15)10-4-2-3-5-12(10)17-13/h2-5,16-17H,6-8H2,1H3,(H,19,20)
InChIKeyCILZNMWYMGJCMK-UHFFFAOYSA-N
XLogP1.57
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (1S)-1-(methylsulfanylmethyl)-2,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylate
CID 58843650
methyl 2-(1-propan-2-yl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)acetate
CID 165343225
(1R)-1-iodo-1-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indole
CID 71178701
spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cycloheptane]
CID 10083666
acetic acid;(1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)methanol
CID 22766912
2,2-dimethyl-1-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylpropan-1-one
CID 110197708
3-ethyl-3-methyl-2,4-dihydro-1H-cyclopenta[b]indole
CID 45098939
2-ethoxy-1-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-ylethanone
CID 110197533
spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-thiane]
CID 10332756
methyl 2-[(1S)-1-ethyl-2,3,4,9-tetrahydrocarbazol-1-yl]acetate
CID 129405058
1-[(4-methoxyphenyl)methyl]-6-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid
CID 11792145
1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indole-1-carboxamide
CID 12708178

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxopropyl)-2,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid?
The IUPAC name of 1-(2-oxopropyl)-2,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid (CID 171976095) is 1-(2-oxopropyl)-2,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid.
What is the SMILES notation for 1-(2-oxopropyl)-2,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid?
The canonical SMILES for 1-(2-oxopropyl)-2,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid is CC(=O)CC1(C(=O)O)NCCc2c1[nH]c1ccccc21.
What is the InChIKey of 1-(2-oxopropyl)-2,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid?
The InChIKey is CILZNMWYMGJCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-9(18)8-15(14(19)20)13-11(6-7-16-15)10-4-2-3-5-12(10)17-13/h2-5,16-17H,6-8H2,1H3,(H,19,20).
What are the key properties of 1-(2-oxopropyl)-2,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid?
1-(2-oxopropyl)-2,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 1.57, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxopropyl)-2,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid is sourced from PubChem (CID 171976095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).