(3S)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

C10H11NO3 — CID 2733173

IUPAC(3S)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
SMILESO=C(O)[C@@H]1Cc2ccc(O)cc2CN1
InChIInChI=1S/C10H11NO3/c12-8-2-1-6-4-9(10(13)14)11-5-7(6)3-8/h1-3,9,11-12H,4-5H2,(H,13,14)/t9-/m0/s1
InChIKeyHIKCRLDSCSWXML-VIFPVBQESA-N
MW193.20 g/mol
LogP0.49
Rot. Bonds1

About (3S)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

(3S)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (PubChem CID 2733173) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is (3S)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
PubChem CID2733173
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name(3S)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
SMILESO=C(O)[C@@H]1Cc2ccc(O)cc2CN1
InChIInChI=1S/C10H11NO3/c12-8-2-1-6-4-9(10(13)14)11-5-7(6)3-8/h1-3,9,11-12H,4-5H2,(H,13,14)/t9-/m0/s1
InChIKeyHIKCRLDSCSWXML-VIFPVBQESA-N
XLogP0.49
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-7-amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 18392778
(3R)-1,2,3,4-tetrahydroisoquinoline-3,7-dicarboxylic acid;hydrochloride
CID 118657995
benzene;6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 142501010
azane;1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 175030383
(3R)-6-amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 86316644
7-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 13406802
6-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 70073886
(3S)-7-hydroxy-N-[(3R)-piperidin-3-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 166318791
(3S)-7-(propan-2-ylsulfamoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid;hydrochloride
CID 141182684
6-hydroxy-2,3-dihydro-1H-isoindole-1-carboxylic acid
CID 130040307
(2S)-1-[(3S)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carbonitrile
CID 15483864
7-(2-hydroxyethylsulfamoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 151735343

Frequently Asked Questions

What is the IUPAC name of (3S)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
The IUPAC name of (3S)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (CID 2733173) is (3S)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid.
What is the SMILES notation for (3S)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
The canonical SMILES for (3S)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid is O=C(O)[C@@H]1Cc2ccc(O)cc2CN1.
What is the InChIKey of (3S)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
The InChIKey is HIKCRLDSCSWXML-VIFPVBQESA-N. The full InChI is InChI=1S/C10H11NO3/c12-8-2-1-6-4-9(10(13)14)11-5-7(6)3-8/h1-3,9,11-12H,4-5H2,(H,13,14)/t9-/m0/s1.
What are the key properties of (3S)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
(3S)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid has a molecular weight of 193.20 g/mol, XLogP of 0.49, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid is sourced from PubChem (CID 2733173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).