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

C10H12N2O2 — CID 131146204

IUPAC(2S)-5-amino-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
SMILESNc1cccc2c1CC[C@@H](C(=O)O)N2
InChIInChI=1S/C10H12N2O2/c11-7-2-1-3-8-6(7)4-5-9(12-8)10(13)14/h1-3,9,12H,4-5,11H2,(H,13,14)/t9-/m0/s1
InChIKeyYCTMSIGDGYEBRJ-VIFPVBQESA-N
MW192.22 g/mol
LogP1.08
Rot. Bonds1

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

(2S)-5-amino-1,2,3,4-tetrahydroquinoline-2-carboxylic acid (PubChem CID 131146204) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is (2S)-5-amino-1,2,3,4-tetrahydroquinoline-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-5-amino-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
PubChem CID131146204
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name(2S)-5-amino-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
SMILESNc1cccc2c1CC[C@@H](C(=O)O)N2
InChIInChI=1S/C10H12N2O2/c11-7-2-1-3-8-6(7)4-5-9(12-8)10(13)14/h1-3,9,12H,4-5,11H2,(H,13,14)/t9-/m0/s1
InChIKeyYCTMSIGDGYEBRJ-VIFPVBQESA-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

(2R)-4-amino-2,3-dihydro-1H-indole-2-carboxylic acid
CID 130664684
(2S)-5-chloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 130615096
argon;1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 158312958
(1R)-4-amino-2,3-dihydro-1H-indene-1-carboxylic acid
CID 86332255
(2S)-4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid
CID 124706559
(2S)-7-amino-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 130648417
5-amino-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 105444904
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
4-(trifluoromethyl)-2,3-dihydro-1H-indole-2-carboxylic acid
CID 117198099
4-tert-butyl-2,3-dihydro-1H-indole-2-carboxylic acid
CID 84786777
2-methyl-2,3-dihydro-1H-indol-4-amine
CID 130045562

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
The IUPAC name of (2S)-5-amino-1,2,3,4-tetrahydroquinoline-2-carboxylic acid (CID 131146204) is (2S)-5-amino-1,2,3,4-tetrahydroquinoline-2-carboxylic acid.
What is the SMILES notation for (2S)-5-amino-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
The canonical SMILES for (2S)-5-amino-1,2,3,4-tetrahydroquinoline-2-carboxylic acid is Nc1cccc2c1CC[C@@H](C(=O)O)N2.
What is the InChIKey of (2S)-5-amino-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
The InChIKey is YCTMSIGDGYEBRJ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12N2O2/c11-7-2-1-3-8-6(7)4-5-9(12-8)10(13)14/h1-3,9,12H,4-5,11H2,(H,13,14)/t9-/m0/s1.
What are the key properties of (2S)-5-amino-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
(2S)-5-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)-5-amino-1,2,3,4-tetrahydroquinoline-2-carboxylic acid is sourced from PubChem (CID 131146204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).