(2S)-7-amino-1,2,3,4-tetrahydroquinoline-2-carboxylic acid

C10H12N2O2 — CID 130648417

IUPAC(2S)-7-amino-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
SMILESNc1ccc2c(c1)N[C@H](C(=O)O)CC2
InChIInChI=1S/C10H12N2O2/c11-7-3-1-6-2-4-8(10(13)14)12-9(6)5-7/h1,3,5,8,12H,2,4,11H2,(H,13,14)/t8-/m0/s1
InChIKeyWKKTUMFNGUOSKK-QMMMGPOBSA-N
MW192.22 g/mol
LogP1.08
Rot. Bonds1

About (2S)-7-amino-1,2,3,4-tetrahydroquinoline-2-carboxylic acid

(2S)-7-amino-1,2,3,4-tetrahydroquinoline-2-carboxylic acid (PubChem CID 130648417) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is (2S)-7-amino-1,2,3,4-tetrahydroquinoline-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-7-amino-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
PubChem CID130648417
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name(2S)-7-amino-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
SMILESNc1ccc2c(c1)N[C@H](C(=O)O)CC2
InChIInChI=1S/C10H12N2O2/c11-7-3-1-6-2-4-8(10(13)14)12-9(6)5-7/h1,3,5,8,12H,2,4,11H2,(H,13,14)/t8-/m0/s1
InChIKeyWKKTUMFNGUOSKK-QMMMGPOBSA-N
XLogP1.08
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

argon;1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 158312958
7-methoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 84620843
2-(8-amino-2,3,4,5-tetrahydro-1H-1-benzazepin-2-yl)acetic acid
CID 23291044
(2S)-6-bromo-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 97296326
(2S)-5-amino-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 131146204
(3R)-7-amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 18392778
(3R)-6-amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 86316644
6-methoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid;hydrochloride
CID 70503014
2,3,4,5-tetrahydro-1H-1-benzazepine-2-carboxylic acid
CID 75355585
8-bromo-1-oxo-2,3,4,5-tetrahydro-2-benzazepine-3-carboxylic acid
CID 84643345
2-(6-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpropanoic acid
CID 105474225
(1R)-7-amino-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
CID 130609338

Frequently Asked Questions

What is the IUPAC name of (2S)-7-amino-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
The IUPAC name of (2S)-7-amino-1,2,3,4-tetrahydroquinoline-2-carboxylic acid (CID 130648417) is (2S)-7-amino-1,2,3,4-tetrahydroquinoline-2-carboxylic acid.
What is the SMILES notation for (2S)-7-amino-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
The canonical SMILES for (2S)-7-amino-1,2,3,4-tetrahydroquinoline-2-carboxylic acid is Nc1ccc2c(c1)N[C@H](C(=O)O)CC2.
What is the InChIKey of (2S)-7-amino-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
The InChIKey is WKKTUMFNGUOSKK-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H12N2O2/c11-7-3-1-6-2-4-8(10(13)14)12-9(6)5-7/h1,3,5,8,12H,2,4,11H2,(H,13,14)/t8-/m0/s1.
What are the key properties of (2S)-7-amino-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
(2S)-7-amino-1,2,3,4-tetrahydroquinoline-2-carboxylic acid has a molecular weight of 192.22 g/mol, XLogP of 1.08, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-7-amino-1,2,3,4-tetrahydroquinoline-2-carboxylic acid is sourced from PubChem (CID 130648417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).