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

C11H19NO2 — CID 43409735

IUPAC2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)acetic acid
SMILESO=C(O)CN1CCCC2CCCCC21
InChIInChI=1S/C11H19NO2/c13-11(14)8-12-7-3-5-9-4-1-2-6-10(9)12/h9-10H,1-8H2,(H,13,14)
InChIKeyWGFYBLRBMYIFBH-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.73
Rot. Bonds2

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

2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)acetic acid (PubChem CID 43409735) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)acetic acid
PubChem CID43409735
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)acetic acid
SMILESO=C(O)CN1CCCC2CCCCC21
InChIInChI=1S/C11H19NO2/c13-11(14)8-12-7-3-5-9-4-1-2-6-10(9)12/h9-10H,1-8H2,(H,13,14)
InChIKeyWGFYBLRBMYIFBH-UHFFFAOYSA-N
XLogP1.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)acetic acid;hydrochloride
CID 67010209
2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]prop-2-enoic acid
CID 102727093
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-cyclopentylethanone
CID 104750870
3-[(2S)-2-cyclohexylpyrrolidin-1-yl]propanoic acid
CID 42576565
2-(6-azabicyclo[3.2.0]heptan-6-yl)acetic acid
CID 127019883
2-(2-cyclohexylpiperidin-1-yl)acetamide
CID 67699476
2-(2-cyclopropylpyrrolidin-1-yl)acetamide
CID 126996638
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-methoxypropan-2-one
CID 107507157
propan-2-yl 2-(2-cyclopentylpyrrolidin-1-yl)acetate
CID 61068973
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-phenylethanone
CID 65319775
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(methylcarbamoyl)acetamide
CID 11931369
2-[2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]phenyl]acetic acid
CID 102727074

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)acetic acid?
The IUPAC name of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)acetic acid (CID 43409735) is 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)acetic acid.
What is the SMILES notation for 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)acetic acid?
The canonical SMILES for 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)acetic acid is O=C(O)CN1CCCC2CCCCC21.
What is the InChIKey of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)acetic acid?
The InChIKey is WGFYBLRBMYIFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c13-11(14)8-12-7-3-5-9-4-1-2-6-10(9)12/h9-10H,1-8H2,(H,13,14).
What are the key properties of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)acetic acid?
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)acetic acid has a molecular weight of 197.28 g/mol, XLogP of 1.73, 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)acetic acid is sourced from PubChem (CID 43409735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).