2-amino-5,6,7,8-tetrahydroquinoline-3-carboxylic acid

C10H12N2O2 — CID 5149881

IUPAC2-amino-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
SMILESNc1nc2c(cc1C(=O)O)CCCC2
InChIInChI=1S/C10H12N2O2/c11-9-7(10(13)14)5-6-3-1-2-4-8(6)12-9/h5H,1-4H2,(H2,11,12)(H,13,14)
InChIKeyLDDVELARZBGXHQ-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.24
Rot. Bonds1

About 2-amino-5,6,7,8-tetrahydroquinoline-3-carboxylic acid

2-amino-5,6,7,8-tetrahydroquinoline-3-carboxylic acid (PubChem CID 5149881) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-amino-5,6,7,8-tetrahydroquinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
PubChem CID5149881
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name2-amino-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
SMILESNc1nc2c(cc1C(=O)O)CCCC2
InChIInChI=1S/C10H12N2O2/c11-9-7(10(13)14)5-6-3-1-2-4-8(6)12-9/h5H,1-4H2,(H2,11,12)(H,13,14)
InChIKeyLDDVELARZBGXHQ-UHFFFAOYSA-N
XLogP1.24
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
The IUPAC name of 2-amino-5,6,7,8-tetrahydroquinoline-3-carboxylic acid (CID 5149881) is 2-amino-5,6,7,8-tetrahydroquinoline-3-carboxylic acid.
What is the SMILES notation for 2-amino-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
The canonical SMILES for 2-amino-5,6,7,8-tetrahydroquinoline-3-carboxylic acid is Nc1nc2c(cc1C(=O)O)CCCC2.
What is the InChIKey of 2-amino-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
The InChIKey is LDDVELARZBGXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c11-9-7(10(13)14)5-6-3-1-2-4-8(6)12-9/h5H,1-4H2,(H2,11,12)(H,13,14).
What are the key properties of 2-amino-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
2-amino-5,6,7,8-tetrahydroquinoline-3-carboxylic acid has a molecular weight of 192.22 g/mol, XLogP of 1.24, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,6,7,8-tetrahydroquinoline-3-carboxylic acid is sourced from PubChem (CID 5149881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).