2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propanoic acid

C12H21NO2 — CID 43628350

IUPAC2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propanoic acid
SMILESCC(C(=O)O)N1CCCC2CCCCC21
InChIInChI=1S/C12H21NO2/c1-9(12(14)15)13-8-4-6-10-5-2-3-7-11(10)13/h9-11H,2-8H2,1H3,(H,14,15)
InChIKeyIQFYLIIUJKIPSO-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.11
Rot. Bonds2

About 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propanoic acid

2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propanoic acid (PubChem CID 43628350) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propanoic acid
PubChem CID43628350
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propanoic acid
SMILESCC(C(=O)O)N1CCCC2CCCCC21
InChIInChI=1S/C12H21NO2/c1-9(12(14)15)13-8-4-6-10-5-2-3-7-11(10)13/h9-11H,2-8H2,1H3,(H,14,15)
InChIKeyIQFYLIIUJKIPSO-UHFFFAOYSA-N
XLogP2.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propanoic acid?
The IUPAC name of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propanoic acid (CID 43628350) is 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propanoic acid.
What is the SMILES notation for 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propanoic acid?
The canonical SMILES for 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propanoic acid is CC(C(=O)O)N1CCCC2CCCCC21.
What is the InChIKey of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propanoic acid?
The InChIKey is IQFYLIIUJKIPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9(12(14)15)13-8-4-6-10-5-2-3-7-11(10)13/h9-11H,2-8H2,1H3,(H,14,15).
What are the key properties of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propanoic acid?
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propanoic acid has a molecular weight of 211.30 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propanoic acid is sourced from PubChem (CID 43628350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).