1,6-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid

C14H16N2O2 — CID 154199556

IUPAC1,6-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid
SMILESCc1ccc2[nH]c3c(c2c1)CCNC3(C)C(=O)O
InChIInChI=1S/C14H16N2O2/c1-8-3-4-11-10(7-8)9-5-6-15-14(2,13(17)18)12(9)16-11/h3-4,7,15-16H,5-6H2,1-2H3,(H,17,18)
InChIKeyVURXSTPAROIYOQ-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.92
Rot. Bonds1

About 1,6-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid

1,6-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid (PubChem CID 154199556) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1,6-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid.

Molecular Properties

Compound Name1,6-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid
PubChem CID154199556
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name1,6-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid
SMILESCc1ccc2[nH]c3c(c2c1)CCNC3(C)C(=O)O
InChIInChI=1S/C14H16N2O2/c1-8-3-4-11-10(7-8)9-5-6-15-14(2,13(17)18)12(9)16-11/h3-4,7,15-16H,5-6H2,1-2H3,(H,17,18)
InChIKeyVURXSTPAROIYOQ-UHFFFAOYSA-N
XLogP1.92
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-methoxyphenyl)methyl]-6-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid
CID 11792145
6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
CID 19807228
6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxylic acid
CID 17389654
(3,6-dimethyl-1,2,4,9-tetrahydrocarbazol-3-yl)methanol
CID 71054565
6-methyl-4'-phenylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cycloheptane]
CID 142894035
1-(3,4-dimethoxyphenyl)-1-ethyl-6-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indole
CID 18702241
(1R)-6-methyl-1'-pentylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3'-indole]-2'-one
CID 8016693
7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 4770206
(1R)-6-methyl-1'-prop-2-enylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3'-indole]-2'-one
CID 28592883
6-methoxy-1-methyl-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid
CID 84742547
1-(2-oxopropyl)-2,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid
CID 171976095
cyclohexyl-[(1R)-1,6-dimethyl-2,3,4,9-tetrahydrocarbazol-1-yl]azanium
CID 7372508

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid?
The IUPAC name of 1,6-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid (CID 154199556) is 1,6-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid.
What is the SMILES notation for 1,6-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid?
The canonical SMILES for 1,6-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid is Cc1ccc2[nH]c3c(c2c1)CCNC3(C)C(=O)O.
What is the InChIKey of 1,6-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid?
The InChIKey is VURXSTPAROIYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-8-3-4-11-10(7-8)9-5-6-15-14(2,13(17)18)12(9)16-11/h3-4,7,15-16H,5-6H2,1-2H3,(H,17,18).
What are the key properties of 1,6-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid?
1,6-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of 1.92, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid is sourced from PubChem (CID 154199556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).