(3R)-3-amino-1,2,3,4-tetrahydroquinoline-6-carboxylic acid

C10H12N2O2 — CID 131173194

IUPAC(3R)-3-amino-1,2,3,4-tetrahydroquinoline-6-carboxylic acid
SMILESN[C@H]1CNc2ccc(C(=O)O)cc2C1
InChIInChI=1S/C10H12N2O2/c11-8-4-7-3-6(10(13)14)1-2-9(7)12-5-8/h1-3,8,12H,4-5,11H2,(H,13,14)/t8-/m1/s1
InChIKeyZDUAIOOTXOTOGW-MRVPVSSYSA-N
MW192.22 g/mol
LogP0.68
Rot. Bonds1

About (3R)-3-amino-1,2,3,4-tetrahydroquinoline-6-carboxylic acid

(3R)-3-amino-1,2,3,4-tetrahydroquinoline-6-carboxylic acid (PubChem CID 131173194) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is (3R)-3-amino-1,2,3,4-tetrahydroquinoline-6-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-amino-1,2,3,4-tetrahydroquinoline-6-carboxylic acid
PubChem CID131173194
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name(3R)-3-amino-1,2,3,4-tetrahydroquinoline-6-carboxylic acid
SMILESN[C@H]1CNc2ccc(C(=O)O)cc2C1
InChIInChI=1S/C10H12N2O2/c11-8-4-7-3-6(10(13)14)1-2-9(7)12-5-8/h1-3,8,12H,4-5,11H2,(H,13,14)/t8-/m1/s1
InChIKeyZDUAIOOTXOTOGW-MRVPVSSYSA-N
XLogP0.68
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 ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CID 23359820
1,2,3,4-tetrahydroquinoline-6-carboxylic acid;hydrochloride
CID 50988785
2,4-dihydro-1H-3,1-benzoxazine-6-carboxylic acid
CID 139968439
2,3-dihydro-1H-indazole-5-carboxylic acid
CID 68838696
3-(2-acetamidoethyl)-2,3-dihydro-1H-indole-5-carboxylic acid
CID 71126385
3-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-7-carboxylic acid
CID 82790802
6-hydroxy-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
CID 54367728
(2S)-2-pentadecyl-2,3-dihydro-1H-indole-5-carboxylic acid
CID 70487224
(3aS,9bR)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid
CID 46891347
3-[(4-chlorobenzoyl)amino]-N-hydroxy-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 56933015
(2R)-2-[(2R)-octadecan-2-yl]-2,3-dihydro-1H-indole-5-carboxylic acid
CID 24839530
1-(oxomethylidene)-3,4-dihydro-2H-isoquinoline-6-carboxylic acid
CID 176533475

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-1,2,3,4-tetrahydroquinoline-6-carboxylic acid?
The IUPAC name of (3R)-3-amino-1,2,3,4-tetrahydroquinoline-6-carboxylic acid (CID 131173194) is (3R)-3-amino-1,2,3,4-tetrahydroquinoline-6-carboxylic acid.
What is the SMILES notation for (3R)-3-amino-1,2,3,4-tetrahydroquinoline-6-carboxylic acid?
The canonical SMILES for (3R)-3-amino-1,2,3,4-tetrahydroquinoline-6-carboxylic acid is N[C@H]1CNc2ccc(C(=O)O)cc2C1.
What is the InChIKey of (3R)-3-amino-1,2,3,4-tetrahydroquinoline-6-carboxylic acid?
The InChIKey is ZDUAIOOTXOTOGW-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H12N2O2/c11-8-4-7-3-6(10(13)14)1-2-9(7)12-5-8/h1-3,8,12H,4-5,11H2,(H,13,14)/t8-/m1/s1.
What are the key properties of (3R)-3-amino-1,2,3,4-tetrahydroquinoline-6-carboxylic acid?
(3R)-3-amino-1,2,3,4-tetrahydroquinoline-6-carboxylic acid has a molecular weight of 192.22 g/mol, XLogP of 0.68, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-1,2,3,4-tetrahydroquinoline-6-carboxylic acid is sourced from PubChem (CID 131173194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).