3-amino-3-quinolin-8-ylpropanoic acid

C12H12N2O2 — CID 53441937

IUPAC3-amino-3-quinolin-8-ylpropanoic acid
SMILESNC(CC(=O)O)c1cccc2cccnc12
InChIInChI=1S/C12H12N2O2/c13-10(7-11(15)16)9-5-1-3-8-4-2-6-14-12(8)9/h1-6,10H,7,13H2,(H,15,16)
InChIKeyZEAHXLCTIHWTSG-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.71
Rot. Bonds3

About 3-amino-3-quinolin-8-ylpropanoic acid

3-amino-3-quinolin-8-ylpropanoic acid (PubChem CID 53441937) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-amino-3-quinolin-8-ylpropanoic acid.

Molecular Properties

Compound Name3-amino-3-quinolin-8-ylpropanoic acid
PubChem CID53441937
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name3-amino-3-quinolin-8-ylpropanoic acid
SMILESNC(CC(=O)O)c1cccc2cccnc12
InChIInChI=1S/C12H12N2O2/c13-10(7-11(15)16)9-5-1-3-8-4-2-6-14-12(8)9/h1-6,10H,7,13H2,(H,15,16)
InChIKeyZEAHXLCTIHWTSG-UHFFFAOYSA-N
XLogP1.71
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-quinolin-8-ylethane-1,2-diamine
CID 63968089
(3R)-3-amino-3-(2-fluoro-3-pyridinyl)propanoic acid
CID 55293106
3-amino-3-(2-chloro-3-pyridinyl)propanoic acid
CID 53417344
(3R)-3-acetamido-3-quinolin-8-ylpropanoic acid
CID 63968660
1-quinolin-8-ylbutan-1-amine
CID 79016206
3-quinolin-8-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propanoic acid
CID 170815844
ethyl 2-fluoro-2-quinolin-8-ylacetate
CID 81224221
1-quinolin-8-ylhexan-1-amine
CID 105021327
methyl 4-amino-3-quinolin-8-ylpentanoate
CID 66097911
ethyl 3-(methylamino)-3-quinolin-8-ylpropanoate
CID 65236794
ethyl 3-(ethylamino)-3-quinolin-8-ylpropanoate
CID 65234270
2-amino-1-quinolin-8-ylpropan-1-ol
CID 63969290

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-quinolin-8-ylpropanoic acid?
The IUPAC name of 3-amino-3-quinolin-8-ylpropanoic acid (CID 53441937) is 3-amino-3-quinolin-8-ylpropanoic acid.
What is the SMILES notation for 3-amino-3-quinolin-8-ylpropanoic acid?
The canonical SMILES for 3-amino-3-quinolin-8-ylpropanoic acid is NC(CC(=O)O)c1cccc2cccnc12.
What is the InChIKey of 3-amino-3-quinolin-8-ylpropanoic acid?
The InChIKey is ZEAHXLCTIHWTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c13-10(7-11(15)16)9-5-1-3-8-4-2-6-14-12(8)9/h1-6,10H,7,13H2,(H,15,16).
What are the key properties of 3-amino-3-quinolin-8-ylpropanoic acid?
3-amino-3-quinolin-8-ylpropanoic acid has a molecular weight of 216.24 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-quinolin-8-ylpropanoic acid is sourced from PubChem (CID 53441937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).