(3R)-5-amino-1,2,3,4-tetrahydroquinolin-3-ol

C9H12N2O — CID 129379706

IUPAC(3R)-5-amino-1,2,3,4-tetrahydroquinolin-3-ol
SMILESNc1cccc2c1C[C@@H](O)CN2
InChIInChI=1S/C9H12N2O/c10-8-2-1-3-9-7(8)4-6(12)5-11-9/h1-3,6,11-12H,4-5,10H2/t6-/m1/s1
InChIKeyXXPMAVIICUMXOM-ZCFIWIBFSA-N
MW164.21 g/mol
LogP0.60
Rot. Bonds

About (3R)-5-amino-1,2,3,4-tetrahydroquinolin-3-ol

(3R)-5-amino-1,2,3,4-tetrahydroquinolin-3-ol (PubChem CID 129379706) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is (3R)-5-amino-1,2,3,4-tetrahydroquinolin-3-ol.

Molecular Properties

Compound Name(3R)-5-amino-1,2,3,4-tetrahydroquinolin-3-ol
PubChem CID129379706
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name(3R)-5-amino-1,2,3,4-tetrahydroquinolin-3-ol
SMILESNc1cccc2c1C[C@@H](O)CN2
InChIInChI=1S/C9H12N2O/c10-8-2-1-3-9-7(8)4-6(12)5-11-9/h1-3,6,11-12H,4-5,10H2/t6-/m1/s1
InChIKeyXXPMAVIICUMXOM-ZCFIWIBFSA-N
XLogP0.60
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.60
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

5-amino-1,2,3,4-tetrahydroquinolin-3-ol
CID 59216604
4,7-diamino-2,3-dihydro-1H-inden-2-ol
CID 58794764
2-methyl-2,3-dihydro-1H-indol-4-amine
CID 130045562
(2R)-4-amino-2,3-dihydro-1H-indole-2-carboxylic acid
CID 130664684
(5-amino-2-oxo-3,4-dihydro-1H-quinolin-3-yl)carbamic acid
CID 68850436
5-amino-3-[(3S)-3-fluoropyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 68704432
5-amino-3-(1,3-thiazolidin-3-yl)-3,4-dihydro-1H-quinolin-2-one
CID 68708379
5-(4-amino-1-hydroxy-1,3-dihydroisoindol-2-yl)piperidin-2-one
CID 142893273
(2S)-5-amino-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 131146204
(3R)-5-ethenyl-1,2,3,4-tetrahydroquinolin-3-amine
CID 130654089
(3S)-5-propan-2-yl-1,2,3,4-tetrahydroquinolin-3-amine
CID 130731304
6-fluoro-1,2,3,4-tetrahydroquinolin-3-ol
CID 83752604

Frequently Asked Questions

What is the IUPAC name of (3R)-5-amino-1,2,3,4-tetrahydroquinolin-3-ol?
The IUPAC name of (3R)-5-amino-1,2,3,4-tetrahydroquinolin-3-ol (CID 129379706) is (3R)-5-amino-1,2,3,4-tetrahydroquinolin-3-ol.
What is the SMILES notation for (3R)-5-amino-1,2,3,4-tetrahydroquinolin-3-ol?
The canonical SMILES for (3R)-5-amino-1,2,3,4-tetrahydroquinolin-3-ol is Nc1cccc2c1C[C@@H](O)CN2.
What is the InChIKey of (3R)-5-amino-1,2,3,4-tetrahydroquinolin-3-ol?
The InChIKey is XXPMAVIICUMXOM-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H12N2O/c10-8-2-1-3-9-7(8)4-6(12)5-11-9/h1-3,6,11-12H,4-5,10H2/t6-/m1/s1.
What are the key properties of (3R)-5-amino-1,2,3,4-tetrahydroquinolin-3-ol?
(3R)-5-amino-1,2,3,4-tetrahydroquinolin-3-ol has a molecular weight of 164.21 g/mol, XLogP of 0.60, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-amino-1,2,3,4-tetrahydroquinolin-3-ol is sourced from PubChem (CID 129379706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).