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

C12H12N2O2 — CID 10727443

IUPAC2-(2-aminoquinolin-3-yl)propanoic acid
SMILESCC(C(=O)O)c1cc2ccccc2nc1N
InChIInChI=1S/C12H12N2O2/c1-7(12(15)16)9-6-8-4-2-3-5-10(8)14-11(9)13/h2-7H,1H3,(H2,13,14)(H,15,16)
InChIKeyAIZQBPPYJPMDDI-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.01
Rot. Bonds2

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

2-(2-aminoquinolin-3-yl)propanoic acid (PubChem CID 10727443) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-(2-aminoquinolin-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(2-aminoquinolin-3-yl)propanoic acid
PubChem CID10727443
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name2-(2-aminoquinolin-3-yl)propanoic acid
SMILESCC(C(=O)O)c1cc2ccccc2nc1N
InChIInChI=1S/C12H12N2O2/c1-7(12(15)16)9-6-8-4-2-3-5-10(8)14-11(9)13/h2-7H,1H3,(H2,13,14)(H,15,16)
InChIKeyAIZQBPPYJPMDDI-UHFFFAOYSA-N
XLogP2.01
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 2812816
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CID 264313
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CID 865215
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CID 2113303
CID 2113303
CID 4611495
CID 4611495
CID 3075053
CID 3075053
CID 283476
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CID 292952
CID 292952
CID 2063877
CID 2063877
CID 3075054
CID 3075054
CID 3075056
CID 3075056

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoquinolin-3-yl)propanoic acid?
The IUPAC name of 2-(2-aminoquinolin-3-yl)propanoic acid (CID 10727443) is 2-(2-aminoquinolin-3-yl)propanoic acid.
What is the SMILES notation for 2-(2-aminoquinolin-3-yl)propanoic acid?
The canonical SMILES for 2-(2-aminoquinolin-3-yl)propanoic acid is CC(C(=O)O)c1cc2ccccc2nc1N.
What is the InChIKey of 2-(2-aminoquinolin-3-yl)propanoic acid?
The InChIKey is AIZQBPPYJPMDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-7(12(15)16)9-6-8-4-2-3-5-10(8)14-11(9)13/h2-7H,1H3,(H2,13,14)(H,15,16).
What are the key properties of 2-(2-aminoquinolin-3-yl)propanoic acid?
2-(2-aminoquinolin-3-yl)propanoic acid has a molecular weight of 216.24 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoquinolin-3-yl)propanoic acid is sourced from PubChem (CID 10727443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).