trans-(1R,2R)-2-[(8aS)-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-yl]cyclopentane-1-carboxylic acid

C13H20N2O3 — CID 161392447

IUPACtrans-(1R,2R)-2-[(8aS)-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-yl]cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CCC[C@H]1N1C[C@@H]2CCCCN2C1=O
InChIInChI=1S/C13H20N2O3/c16-12(17)10-5-3-6-11(10)15-8-9-4-1-2-7-14(9)13(15)18/h9-11H,1-8H2,(H,16,17)/t9-,10+,11+/m0/s1
InChIKeyXLQKYLCVXYBONZ-HBNTYKKESA-N
MW252.31 g/mol
LogP1.53
Rot. Bonds2

About trans-(1R,2R)-2-[(8aS)-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-yl]cyclopentane-1-carboxylic acid

trans-(1R,2R)-2-[(8aS)-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-yl]cyclopentane-1-carboxylic acid (PubChem CID 161392447) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(8aS)-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-yl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(8aS)-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-yl]cyclopentane-1-carboxylic acid
PubChem CID161392447
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Nametrans-(1R,2R)-2-[(8aS)-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-yl]cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CCC[C@H]1N1C[C@@H]2CCCCN2C1=O
InChIInChI=1S/C13H20N2O3/c16-12(17)10-5-3-6-11(10)15-8-9-4-1-2-7-14(9)13(15)18/h9-11H,1-8H2,(H,16,17)/t9-,10+,11+/m0/s1
InChIKeyXLQKYLCVXYBONZ-HBNTYKKESA-N
XLogP1.53
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze trans-(1R,2R)-2-[(8aS)-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-yl]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

cis-(1R,2S)-2-[(8aS)-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl]cyclopentane-1-carboxylic acid
CID 118354117
2-(2-oxopyrrolidin-1-yl)cyclopentane-1-carboxylic acid
CID 64818226
2-(2-oxoimidazolidin-1-yl)cyclopentane-1-carboxylic acid
CID 64815504
2-(2-oxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid
CID 64815698
(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid
CID 7758382
1-azabicyclo[4.2.0]octane-7-carboxylic acid
CID 82651829
1,2,3,5,6,7,8,8a-octahydroindolizine-1-carboxylic acid
CID 82653045
2-(2-cyclopentylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid
CID 63069545
1-(3-carboxycyclohexyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168690108
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclobutane-1-carboxylic acid
CID 80996706
1,2,3,5,6,7,8,8a-octahydroindolizine-8-carboxylic acid
CID 75987984
2-(3,4-dihydro-2H-quinolin-1-yl)cyclopentane-1-carboxylic acid
CID 63068563

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(8aS)-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-yl]cyclopentane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-[(8aS)-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-yl]cyclopentane-1-carboxylic acid (CID 161392447) is trans-(1R,2R)-2-[(8aS)-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-yl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-[(8aS)-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-yl]cyclopentane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-[(8aS)-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-yl]cyclopentane-1-carboxylic acid is O=C(O)[C@@H]1CCC[C@H]1N1C[C@@H]2CCCCN2C1=O.
What is the InChIKey of trans-(1R,2R)-2-[(8aS)-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-yl]cyclopentane-1-carboxylic acid?
The InChIKey is XLQKYLCVXYBONZ-HBNTYKKESA-N. The full InChI is InChI=1S/C13H20N2O3/c16-12(17)10-5-3-6-11(10)15-8-9-4-1-2-7-14(9)13(15)18/h9-11H,1-8H2,(H,16,17)/t9-,10+,11+/m0/s1.
What are the key properties of trans-(1R,2R)-2-[(8aS)-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-yl]cyclopentane-1-carboxylic acid?
trans-(1R,2R)-2-[(8aS)-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-yl]cyclopentane-1-carboxylic acid has a molecular weight of 252.31 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[(8aS)-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-2-yl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 161392447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).