3-(3-aminoquinolin-8-yl)propanoic acid

C12H12N2O2 — CID 84784640

IUPAC3-(3-aminoquinolin-8-yl)propanoic acid
SMILESNc1cnc2c(CCC(=O)O)cccc2c1
InChIInChI=1S/C12H12N2O2/c13-10-6-9-3-1-2-8(4-5-11(15)16)12(9)14-7-10/h1-3,6-7H,4-5,13H2,(H,15,16)
InChIKeyFJQWGBSNWUWBMT-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.83
Rot. Bonds3

About 3-(3-aminoquinolin-8-yl)propanoic acid

3-(3-aminoquinolin-8-yl)propanoic acid (PubChem CID 84784640) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-(3-aminoquinolin-8-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-aminoquinolin-8-yl)propanoic acid
PubChem CID84784640
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name3-(3-aminoquinolin-8-yl)propanoic acid
SMILESNc1cnc2c(CCC(=O)O)cccc2c1
InChIInChI=1S/C12H12N2O2/c13-10-6-9-3-1-2-8(4-5-11(15)16)12(9)14-7-10/h1-3,6-7H,4-5,13H2,(H,15,16)
InChIKeyFJQWGBSNWUWBMT-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(8-bromoquinolin-3-yl)propanoic acid
CID 82667595
3-(2-amino-3-hydroxyphenyl)propanoic acid
CID 131073372
3-(6-amino-[1,3]oxazolo[5,4-b]pyridin-2-yl)propanoic acid
CID 83883065
3-(quinolin-8-ylmethylsulfinyl)propanoic acid
CID 60983236
3-[2-[(2-aminopyrimidin-5-yl)amino]phenyl]propanoic acid
CID 115055282
1,5-bis(7-aminonaphthalen-1-yl)pentan-3-one
CID 176830379
3-quinolin-5-ylpropanoic acid
CID 81224223
18-quinolin-8-yloctadec-9-enoic acid
CID 57187183
3-[6-(2-carboxyethyl)-2-pyridinyl]propanoic acid
CID 22717208
3-[3-(naphthalen-1-ylmethyl)-4-pyridinyl]propanoic acid
CID 139483442
4-(1,2-benzothiazol-7-yl)butanoic acid
CID 117315894
3-[methyl(quinolin-8-ylmethyl)amino]propanoic acid
CID 60987011

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoquinolin-8-yl)propanoic acid?
The IUPAC name of 3-(3-aminoquinolin-8-yl)propanoic acid (CID 84784640) is 3-(3-aminoquinolin-8-yl)propanoic acid.
What is the SMILES notation for 3-(3-aminoquinolin-8-yl)propanoic acid?
The canonical SMILES for 3-(3-aminoquinolin-8-yl)propanoic acid is Nc1cnc2c(CCC(=O)O)cccc2c1.
What is the InChIKey of 3-(3-aminoquinolin-8-yl)propanoic acid?
The InChIKey is FJQWGBSNWUWBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c13-10-6-9-3-1-2-8(4-5-11(15)16)12(9)14-7-10/h1-3,6-7H,4-5,13H2,(H,15,16).
What are the key properties of 3-(3-aminoquinolin-8-yl)propanoic acid?
3-(3-aminoquinolin-8-yl)propanoic acid has a molecular weight of 216.24 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoquinolin-8-yl)propanoic acid is sourced from PubChem (CID 84784640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).