(1R)-7-amino-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid

C10H12N2O2 — CID 130609338

IUPAC(1R)-7-amino-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
SMILESNc1ccc2c(c1)[C@H](C(=O)O)NCC2
InChIInChI=1S/C10H12N2O2/c11-7-2-1-6-3-4-12-9(10(13)14)8(6)5-7/h1-2,5,9,12H,3-4,11H2,(H,13,14)/t9-/m1/s1
InChIKeyMDAPGUHGGOWKOK-SECBINFHSA-N
MW192.22 g/mol
LogP0.54
Rot. Bonds1

About (1R)-7-amino-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid

(1R)-7-amino-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid (PubChem CID 130609338) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is (1R)-7-amino-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid.

Molecular Properties

Compound Name(1R)-7-amino-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
PubChem CID130609338
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name(1R)-7-amino-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
SMILESNc1ccc2c(c1)[C@H](C(=O)O)NCC2
InChIInChI=1S/C10H12N2O2/c11-7-2-1-6-3-4-12-9(10(13)14)8(6)5-7/h1-2,5,9,12H,3-4,11H2,(H,13,14)/t9-/m1/s1
InChIKeyMDAPGUHGGOWKOK-SECBINFHSA-N
XLogP0.54
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 ≤ 50.54
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

(1S)-7-amino-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
CID 130632963
(1R)-6-amino-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
CID 130673633
methyl (1S)-7-amino-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
CID 139840356
(1R)-7-bromo-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
CID 86330126
7-fluoro-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid;hydrochloride
CID 66523703
argon;1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
CID 160886017
2,3,4,5-tetrahydro-1H-2-benzazepine-1-carboxylic acid
CID 83679707
6-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid;hydrochloride
CID 53408438
1,2,3,4-tetrahydro-2,6-naphthyridine-1-carboxylic acid
CID 82410142
1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-7-amine
CID 11287190
2-(6-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpropanoic acid
CID 105474225
(2S)-7-amino-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 130648417

Frequently Asked Questions

What is the IUPAC name of (1R)-7-amino-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid?
The IUPAC name of (1R)-7-amino-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid (CID 130609338) is (1R)-7-amino-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid.
What is the SMILES notation for (1R)-7-amino-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid?
The canonical SMILES for (1R)-7-amino-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid is Nc1ccc2c(c1)[C@H](C(=O)O)NCC2.
What is the InChIKey of (1R)-7-amino-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid?
The InChIKey is MDAPGUHGGOWKOK-SECBINFHSA-N. The full InChI is InChI=1S/C10H12N2O2/c11-7-2-1-6-3-4-12-9(10(13)14)8(6)5-7/h1-2,5,9,12H,3-4,11H2,(H,13,14)/t9-/m1/s1.
What are the key properties of (1R)-7-amino-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid?
(1R)-7-amino-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid has a molecular weight of 192.22 g/mol, XLogP of 0.54, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-7-amino-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid is sourced from PubChem (CID 130609338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).