(2S)-5-chloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid

C10H10ClNO2 — CID 130615096

IUPAC(2S)-5-chloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCc2c(Cl)cccc2N1
InChIInChI=1S/C10H10ClNO2/c11-7-2-1-3-8-6(7)4-5-9(12-8)10(13)14/h1-3,9,12H,4-5H2,(H,13,14)/t9-/m0/s1
InChIKeyIBTOZNWXKGZETJ-VIFPVBQESA-N
MW211.65 g/mol
LogP2.15
Rot. Bonds1

About (2S)-5-chloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid

(2S)-5-chloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid (PubChem CID 130615096) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is (2S)-5-chloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-5-chloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
PubChem CID130615096
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Name(2S)-5-chloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCc2c(Cl)cccc2N1
InChIInChI=1S/C10H10ClNO2/c11-7-2-1-3-8-6(7)4-5-9(12-8)10(13)14/h1-3,9,12H,4-5H2,(H,13,14)/t9-/m0/s1
InChIKeyIBTOZNWXKGZETJ-VIFPVBQESA-N
XLogP2.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-5-amino-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 131146204
(2R)-8-chloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 96613428
argon;1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 158312958
(2R)-4-amino-2,3-dihydro-1H-indole-2-carboxylic acid
CID 130664684
(2S)-4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid
CID 124706559
4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid;hydrochloride
CID 127264904
2,3,4,5-tetrahydro-1H-1-benzazepine-2-carboxylic acid
CID 75355585
5-chloro-4-methoxycarbonyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 19747531
4-tert-butyl-2,3-dihydro-1H-indole-2-carboxylic acid
CID 84786777
4-(trifluoromethyl)-2,3-dihydro-1H-indole-2-carboxylic acid
CID 117198099
(2S)-4-chloro-2-methyl-2,3-dihydro-1H-indole
CID 129375705
diphenylmethanone;5-oxopyrrolidine-2-carboxylic acid
CID 174442978

Frequently Asked Questions

What is the IUPAC name of (2S)-5-chloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
The IUPAC name of (2S)-5-chloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid (CID 130615096) is (2S)-5-chloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid.
What is the SMILES notation for (2S)-5-chloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
The canonical SMILES for (2S)-5-chloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid is O=C(O)[C@@H]1CCc2c(Cl)cccc2N1.
What is the InChIKey of (2S)-5-chloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
The InChIKey is IBTOZNWXKGZETJ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H10ClNO2/c11-7-2-1-3-8-6(7)4-5-9(12-8)10(13)14/h1-3,9,12H,4-5H2,(H,13,14)/t9-/m0/s1.
What are the key properties of (2S)-5-chloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
(2S)-5-chloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid has a molecular weight of 211.65 g/mol, XLogP of 2.15, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-chloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid is sourced from PubChem (CID 130615096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).