(3S)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid

C10H11NO2 — CID 34181194

IUPAC(3S)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
SMILESO=C(O)[C@@H]1CNc2ccccc2C1
InChIInChI=1S/C10H11NO2/c12-10(13)8-5-7-3-1-2-4-9(7)11-6-8/h1-4,8,11H,5-6H2,(H,12,13)/t8-/m0/s1
InChIKeyINRNDFZVAKDYFY-QMMMGPOBSA-N
MW177.20 g/mol
LogP1.36
Rot. Bonds1

About (3S)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid

(3S)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid (PubChem CID 34181194) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is (3S)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
PubChem CID34181194
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name(3S)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
SMILESO=C(O)[C@@H]1CNc2ccccc2C1
InChIInChI=1S/C10H11NO2/c12-10(13)8-5-7-3-1-2-4-9(7)11-6-8/h1-4,8,11H,5-6H2,(H,12,13)/t8-/m0/s1
InChIKeyINRNDFZVAKDYFY-QMMMGPOBSA-N
XLogP1.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-(1,2,3,4-tetrahydroquinoline-3-carbonyl)piperidine-3-carboxylic acid
CID 106901635
6-hydroxy-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
CID 54367728
7-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
CID 83753051
N-(2-hydroxyethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901213
(3,4-dimethylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-3-yl)methanone
CID 79180699
ethane;ethyl 1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 91170420
2-[1-(1,2,3,4-tetrahydroquinoline-3-carbonyl)azetidin-3-yl]acetic acid
CID 106901528
propyl 1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 106902748
cyclohexyl 1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 106902751
N-cyclobutyl-N-methyl-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901759
N-[1-(hydroxymethyl)cyclopentyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901441
2,3,4,5-tetrahydro-1H-2-benzazepine-4-carboxylic acid;hydrobromide
CID 156758919

Frequently Asked Questions

What is the IUPAC name of (3S)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid?
The IUPAC name of (3S)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid (CID 34181194) is (3S)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid.
What is the SMILES notation for (3S)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid?
The canonical SMILES for (3S)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid is O=C(O)[C@@H]1CNc2ccccc2C1.
What is the InChIKey of (3S)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid?
The InChIKey is INRNDFZVAKDYFY-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H11NO2/c12-10(13)8-5-7-3-1-2-4-9(7)11-6-8/h1-4,8,11H,5-6H2,(H,12,13)/t8-/m0/s1.
What are the key properties of (3S)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid?
(3S)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid has a molecular weight of 177.20 g/mol, XLogP of 1.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid is sourced from PubChem (CID 34181194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).