3-(2-aminoquinolin-4-yl)propanoic acid

C12H12N2O2 — CID 67366211

IUPAC3-(2-aminoquinolin-4-yl)propanoic acid
SMILESNc1cc(CCC(=O)O)c2ccccc2n1
InChIInChI=1S/C12H12N2O2/c13-11-7-8(5-6-12(15)16)9-3-1-2-4-10(9)14-11/h1-4,7H,5-6H2,(H2,13,14)(H,15,16)
InChIKeyLRVAXFISWXXLPK-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.83
Rot. Bonds3

About 3-(2-aminoquinolin-4-yl)propanoic acid

3-(2-aminoquinolin-4-yl)propanoic acid (PubChem CID 67366211) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-(2-aminoquinolin-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-aminoquinolin-4-yl)propanoic acid
PubChem CID67366211
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name3-(2-aminoquinolin-4-yl)propanoic acid
SMILESNc1cc(CCC(=O)O)c2ccccc2n1
InChIInChI=1S/C12H12N2O2/c13-11-7-8(5-6-12(15)16)9-3-1-2-4-10(9)14-11/h1-4,7H,5-6H2,(H2,13,14)(H,15,16)
InChIKeyLRVAXFISWXXLPK-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-(3-Fluoro-phenyl)-9-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-nonanoic acid
CID 10200045
5-Oxo-3-phenyl-5-(2-quinolinylamino)pentanoic acid
CID 2812816
3-(Quinolin-2-yl)propanoic acid
CID 264313
2-{1-[2-Oxo-2-(2-quinolinylamino)ethyl]cyclohexyl}acetic acid
CID 2738330
2-(2-Methyl-4-phenylquinolin-3-yl)acetic acid
CID 2113303
4-Quinolinecarboxylic acid, 2-(phenylamino)-
CID 3075053
2-Aminoquinoline-4-carboxamide
CID 230770
2-Aminoquinoline-3-carboxylic acid
CID 283476
5-(2-Oxo-2,3-dihydro-1H-imidazo[4,5-b]quinolin-7-yl)-pentanoic acid
CID 15005604
(E)-3-(3-Fluoro-phenyl)-9-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-non-4-enoic acid
CID 44396497
4-(2-Amino-3-pentylquinolin-5-yl)butanamide
CID 122192101
4-Quinolinecarboxylic acid, 2-((2-methylphenyl)amino)-
CID 3075054

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoquinolin-4-yl)propanoic acid?
The IUPAC name of 3-(2-aminoquinolin-4-yl)propanoic acid (CID 67366211) is 3-(2-aminoquinolin-4-yl)propanoic acid.
What is the SMILES notation for 3-(2-aminoquinolin-4-yl)propanoic acid?
The canonical SMILES for 3-(2-aminoquinolin-4-yl)propanoic acid is Nc1cc(CCC(=O)O)c2ccccc2n1.
What is the InChIKey of 3-(2-aminoquinolin-4-yl)propanoic acid?
The InChIKey is LRVAXFISWXXLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c13-11-7-8(5-6-12(15)16)9-3-1-2-4-10(9)14-11/h1-4,7H,5-6H2,(H2,13,14)(H,15,16).
What are the key properties of 3-(2-aminoquinolin-4-yl)propanoic acid?
3-(2-aminoquinolin-4-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-(2-aminoquinolin-4-yl)propanoic acid is sourced from PubChem (CID 67366211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).