azane;1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

C10H14N2O2 — CID 175030383

IUPACazane;1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
SMILESN.O=C(O)C1Cc2ccccc2CN1
InChIInChI=1S/C10H11NO2.H3N/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9;/h1-4,9,11H,5-6H2,(H,12,13);1H3
InChIKeyQQWXSGINWMSYFG-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.95
Rot. Bonds1

About azane;1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

azane;1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (PubChem CID 175030383) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is azane;1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid.

Molecular Properties

Compound Nameazane;1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
PubChem CID175030383
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Nameazane;1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
SMILESN.O=C(O)C1Cc2ccccc2CN1
InChIInChI=1S/C10H11NO2.H3N/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9;/h1-4,9,11H,5-6H2,(H,12,13);1H3
InChIKeyQQWXSGINWMSYFG-UHFFFAOYSA-N
XLogP0.95
TPSA84.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 4962026
2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid;1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 169430279
chloro 1,2,3,4-tetrahydroisoquinoline-3-carboxylate
CID 174797587
1-(1,2,3,4-tetrahydroisoquinolin-3-yl)prop-2-en-1-one
CID 116549750
(3S)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 2733173
benzene;6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 142501010
cyclobutyl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 116549860
cyclopentyl-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 68917458
(3R)-6-amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 86316644
(3R)-7-amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 18392778
2-[cyclopropyl-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]acetic acid
CID 104896313
N-benzyl-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24711803

Frequently Asked Questions

What is the IUPAC name of azane;1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
The IUPAC name of azane;1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (CID 175030383) is azane;1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid.
What is the SMILES notation for azane;1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
The canonical SMILES for azane;1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid is N.O=C(O)C1Cc2ccccc2CN1.
What is the InChIKey of azane;1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
The InChIKey is QQWXSGINWMSYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2.H3N/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9;/h1-4,9,11H,5-6H2,(H,12,13);1H3.
What are the key properties of azane;1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
azane;1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid has a molecular weight of 194.23 g/mol, XLogP of 0.95, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid is sourced from PubChem (CID 175030383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).