6-amino-1,2,3,4-tetrahydroquinoline-2-carboxylic acid

C10H12N2O2 — CID 55253891

IUPAC6-amino-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
SMILESNc1ccc2c(c1)CCC(C(=O)O)N2
InChIInChI=1S/C10H12N2O2/c11-7-2-4-8-6(5-7)1-3-9(12-8)10(13)14/h2,4-5,9,12H,1,3,11H2,(H,13,14)
InChIKeyPIYYIUZBVPRWOU-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.08
Rot. Bonds1

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

6-amino-1,2,3,4-tetrahydroquinoline-2-carboxylic acid (PubChem CID 55253891) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 6-amino-1,2,3,4-tetrahydroquinoline-2-carboxylic acid.

Molecular Properties

Compound Name6-amino-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
PubChem CID55253891
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name6-amino-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
SMILESNc1ccc2c(c1)CCC(C(=O)O)N2
InChIInChI=1S/C10H12N2O2/c11-7-2-4-8-6(5-7)1-3-9(12-8)10(13)14/h2,4-5,9,12H,1,3,11H2,(H,13,14)
InChIKeyPIYYIUZBVPRWOU-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
The IUPAC name of 6-amino-1,2,3,4-tetrahydroquinoline-2-carboxylic acid (CID 55253891) is 6-amino-1,2,3,4-tetrahydroquinoline-2-carboxylic acid.
What is the SMILES notation for 6-amino-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
The canonical SMILES for 6-amino-1,2,3,4-tetrahydroquinoline-2-carboxylic acid is Nc1ccc2c(c1)CCC(C(=O)O)N2.
What is the InChIKey of 6-amino-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
The InChIKey is PIYYIUZBVPRWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c11-7-2-4-8-6(5-7)1-3-9(12-8)10(13)14/h2,4-5,9,12H,1,3,11H2,(H,13,14).
What are the key properties of 6-amino-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
6-amino-1,2,3,4-tetrahydroquinoline-2-carboxylic acid has a molecular weight of 192.22 g/mol, XLogP of 1.08, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1,2,3,4-tetrahydroquinoline-2-carboxylic acid is sourced from PubChem (CID 55253891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).