4-amino-4-(8-chloroquinolin-2-yl)butanoic acid

C13H13ClN2O2 — CID 82667028

IUPAC4-amino-4-(8-chloroquinolin-2-yl)butanoic acid
SMILESNC(CCC(=O)O)c1ccc2cccc(Cl)c2n1
InChIInChI=1S/C13H13ClN2O2/c14-9-3-1-2-8-4-6-11(16-13(8)9)10(15)5-7-12(17)18/h1-4,6,10H,5,7,15H2,(H,17,18)
InChIKeyOOOVKGKOAVQDEG-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.75
Rot. Bonds4

About 4-amino-4-(8-chloroquinolin-2-yl)butanoic acid

4-amino-4-(8-chloroquinolin-2-yl)butanoic acid (PubChem CID 82667028) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 4-amino-4-(8-chloroquinolin-2-yl)butanoic acid.

Molecular Properties

Compound Name4-amino-4-(8-chloroquinolin-2-yl)butanoic acid
PubChem CID82667028
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name4-amino-4-(8-chloroquinolin-2-yl)butanoic acid
SMILESNC(CCC(=O)O)c1ccc2cccc(Cl)c2n1
InChIInChI=1S/C13H13ClN2O2/c14-9-3-1-2-8-4-6-11(16-13(8)9)10(15)5-7-12(17)18/h1-4,6,10H,5,7,15H2,(H,17,18)
InChIKeyOOOVKGKOAVQDEG-UHFFFAOYSA-N
XLogP2.75
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(8-chloroquinolin-2-yl)butanoic acid?
The IUPAC name of 4-amino-4-(8-chloroquinolin-2-yl)butanoic acid (CID 82667028) is 4-amino-4-(8-chloroquinolin-2-yl)butanoic acid.
What is the SMILES notation for 4-amino-4-(8-chloroquinolin-2-yl)butanoic acid?
The canonical SMILES for 4-amino-4-(8-chloroquinolin-2-yl)butanoic acid is NC(CCC(=O)O)c1ccc2cccc(Cl)c2n1.
What is the InChIKey of 4-amino-4-(8-chloroquinolin-2-yl)butanoic acid?
The InChIKey is OOOVKGKOAVQDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c14-9-3-1-2-8-4-6-11(16-13(8)9)10(15)5-7-12(17)18/h1-4,6,10H,5,7,15H2,(H,17,18).
What are the key properties of 4-amino-4-(8-chloroquinolin-2-yl)butanoic acid?
4-amino-4-(8-chloroquinolin-2-yl)butanoic acid has a molecular weight of 264.71 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(8-chloroquinolin-2-yl)butanoic acid is sourced from PubChem (CID 82667028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).