(2R)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]oxolane-2-carboxamide

C13H22N2O2 — CID 100570398

IUPAC(2R)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]oxolane-2-carboxamide
SMILESO=C(N[C@@H]1CCN2CCCC[C@H]12)[C@H]1CCCO1
InChIInChI=1S/C13H22N2O2/c16-13(12-5-3-9-17-12)14-10-6-8-15-7-2-1-4-11(10)15/h10-12H,1-9H2,(H,14,16)/t10-,11-,12-/m1/s1
InChIKeyANYSUVTXSJXSSD-IJLUTSLNSA-N
MW238.33 g/mol
LogP0.91
Rot. Bonds2

About (2R)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]oxolane-2-carboxamide

(2R)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]oxolane-2-carboxamide (PubChem CID 100570398) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is (2R)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]oxolane-2-carboxamide
PubChem CID100570398
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name(2R)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]oxolane-2-carboxamide
SMILESO=C(N[C@@H]1CCN2CCCC[C@H]12)[C@H]1CCCO1
InChIInChI=1S/C13H22N2O2/c16-13(12-5-3-9-17-12)14-10-6-8-15-7-2-1-4-11(10)15/h10-12H,1-9H2,(H,14,16)/t10-,11-,12-/m1/s1
InChIKeyANYSUVTXSJXSSD-IJLUTSLNSA-N
XLogP0.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]oxolane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1S,2R)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methylcyclopropane-1-carboxamide
CID 94121437
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide
CID 60770068
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyrrolidine-1-carboxamide
CID 115584130
(2R)-N-[(1S,2S)-2-hydroxycyclohexyl]oxolane-2-carboxamide
CID 104956743
(2R)-N-cyclopentyloxolane-2-carboxamide
CID 7368998
(2S)-N-cyclopentyloxolane-2-carboxamide
CID 7368997
2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)cyclopentane-1-carboxamide;dihydrochloride
CID 119857971
(2S)-N-[(1R,2R)-2-methylcyclopropyl]oxolane-2-carboxamide
CID 130652257
(2S)-N-(2-aminocycloheptyl)oxolane-2-carboxamide
CID 104856246
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)prop-2-enamide
CID 43698480
3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64835591
N-(2-methylcyclopropyl)oxane-2-carboxamide
CID 131084366

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]oxolane-2-carboxamide (CID 100570398) is (2R)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]oxolane-2-carboxamide is O=C(N[C@@H]1CCN2CCCC[C@H]12)[C@H]1CCCO1.
What is the InChIKey of (2R)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]oxolane-2-carboxamide?
The InChIKey is ANYSUVTXSJXSSD-IJLUTSLNSA-N. The full InChI is InChI=1S/C13H22N2O2/c16-13(12-5-3-9-17-12)14-10-6-8-15-7-2-1-4-11(10)15/h10-12H,1-9H2,(H,14,16)/t10-,11-,12-/m1/s1.
What are the key properties of (2R)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]oxolane-2-carboxamide?
(2R)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]oxolane-2-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]oxolane-2-carboxamide is sourced from PubChem (CID 100570398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).