4-amino-4-quinolin-6-ylbutanoic acid

C13H14N2O2 — CID 84693454

IUPAC4-amino-4-quinolin-6-ylbutanoic acid
SMILESNC(CCC(=O)O)c1ccc2ncccc2c1
InChIInChI=1S/C13H14N2O2/c14-11(4-6-13(16)17)9-3-5-12-10(8-9)2-1-7-15-12/h1-3,5,7-8,11H,4,6,14H2,(H,16,17)
InChIKeyBTCGTVZKNYJADX-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.10
Rot. Bonds4

About 4-amino-4-quinolin-6-ylbutanoic acid

4-amino-4-quinolin-6-ylbutanoic acid (PubChem CID 84693454) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-amino-4-quinolin-6-ylbutanoic acid.

Molecular Properties

Compound Name4-amino-4-quinolin-6-ylbutanoic acid
PubChem CID84693454
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name4-amino-4-quinolin-6-ylbutanoic acid
SMILESNC(CCC(=O)O)c1ccc2ncccc2c1
InChIInChI=1S/C13H14N2O2/c14-11(4-6-13(16)17)9-3-5-12-10(8-9)2-1-7-15-12/h1-3,5,7-8,11H,4,6,14H2,(H,16,17)
InChIKeyBTCGTVZKNYJADX-UHFFFAOYSA-N
XLogP2.10
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-quinolin-6-ylbutan-1-amine
CID 63095616
3-phenoxy-1-quinolin-6-ylpropan-1-amine
CID 78924724
5-methyl-1-quinolin-6-ylhexan-1-amine
CID 83161358
1-quinolin-6-yldecan-1-amine
CID 63418413
4-methoxy-1-quinolin-6-ylbutan-1-amine
CID 78924718
N',N'-diethyl-1-quinolin-6-ylpropane-1,3-diamine
CID 81231421
3-amino-3-quinolin-6-ylpropanenitrile
CID 55273076
3-(2-methylphenyl)-1-quinolin-6-ylpropan-1-amine
CID 105172408
3-methyl-2-quinolin-6-ylbutanoic acid
CID 81224451
2-tert-butylsulfanyl-1-quinolin-6-ylethanamine
CID 81232046
ethyl (2R)-2-quinolin-6-ylpropanoate
CID 86328869
2-(4-methylphenyl)-1-quinolin-6-ylethanamine
CID 63097383

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-quinolin-6-ylbutanoic acid?
The IUPAC name of 4-amino-4-quinolin-6-ylbutanoic acid (CID 84693454) is 4-amino-4-quinolin-6-ylbutanoic acid.
What is the SMILES notation for 4-amino-4-quinolin-6-ylbutanoic acid?
The canonical SMILES for 4-amino-4-quinolin-6-ylbutanoic acid is NC(CCC(=O)O)c1ccc2ncccc2c1.
What is the InChIKey of 4-amino-4-quinolin-6-ylbutanoic acid?
The InChIKey is BTCGTVZKNYJADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c14-11(4-6-13(16)17)9-3-5-12-10(8-9)2-1-7-15-12/h1-3,5,7-8,11H,4,6,14H2,(H,16,17).
What are the key properties of 4-amino-4-quinolin-6-ylbutanoic acid?
4-amino-4-quinolin-6-ylbutanoic acid has a molecular weight of 230.27 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-quinolin-6-ylbutanoic acid is sourced from PubChem (CID 84693454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).