2-(2-amino-5,6,7,8-tetrahydroquinolin-5-yl)acetic acid

C11H14N2O2 — CID 70119964

IUPAC2-(2-amino-5,6,7,8-tetrahydroquinolin-5-yl)acetic acid
SMILESNc1ccc2c(n1)CCCC2CC(=O)O
InChIInChI=1S/C11H14N2O2/c12-10-5-4-8-7(6-11(14)15)2-1-3-9(8)13-10/h4-5,7H,1-3,6H2,(H2,12,13)(H,14,15)
InChIKeyNCELBERVAOEXTI-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.56
Rot. Bonds2

About 2-(2-amino-5,6,7,8-tetrahydroquinolin-5-yl)acetic acid

2-(2-amino-5,6,7,8-tetrahydroquinolin-5-yl)acetic acid (PubChem CID 70119964) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-(2-amino-5,6,7,8-tetrahydroquinolin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(2-amino-5,6,7,8-tetrahydroquinolin-5-yl)acetic acid
PubChem CID70119964
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name2-(2-amino-5,6,7,8-tetrahydroquinolin-5-yl)acetic acid
SMILESNc1ccc2c(n1)CCCC2CC(=O)O
InChIInChI=1S/C11H14N2O2/c12-10-5-4-8-7(6-11(14)15)2-1-3-9(8)13-10/h4-5,7H,1-3,6H2,(H2,12,13)(H,14,15)
InChIKeyNCELBERVAOEXTI-UHFFFAOYSA-N
XLogP1.56
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5,6,7,8-tetrahydroquinolin-5-yl)acetic acid?
The IUPAC name of 2-(2-amino-5,6,7,8-tetrahydroquinolin-5-yl)acetic acid (CID 70119964) is 2-(2-amino-5,6,7,8-tetrahydroquinolin-5-yl)acetic acid.
What is the SMILES notation for 2-(2-amino-5,6,7,8-tetrahydroquinolin-5-yl)acetic acid?
The canonical SMILES for 2-(2-amino-5,6,7,8-tetrahydroquinolin-5-yl)acetic acid is Nc1ccc2c(n1)CCCC2CC(=O)O.
What is the InChIKey of 2-(2-amino-5,6,7,8-tetrahydroquinolin-5-yl)acetic acid?
The InChIKey is NCELBERVAOEXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c12-10-5-4-8-7(6-11(14)15)2-1-3-9(8)13-10/h4-5,7H,1-3,6H2,(H2,12,13)(H,14,15).
What are the key properties of 2-(2-amino-5,6,7,8-tetrahydroquinolin-5-yl)acetic acid?
2-(2-amino-5,6,7,8-tetrahydroquinolin-5-yl)acetic acid has a molecular weight of 206.24 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5,6,7,8-tetrahydroquinolin-5-yl)acetic acid is sourced from PubChem (CID 70119964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).