ethyl 2-[(1R,2R,8S)-1-methyl-3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-2-yl]acetate

C12H19NO3 — CID 101265475

IUPACethyl 2-[(1R,2R,8S)-1-methyl-3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-2-yl]acetate
SMILESCCOC(=O)C[C@H]1C(=O)N2CCC[C@H]2[C@@H]1C
InChIInChI=1S/C12H19NO3/c1-3-16-11(14)7-9-8(2)10-5-4-6-13(10)12(9)15/h8-10H,3-7H2,1-2H3/t8-,9-,10+/m1/s1
InChIKeyAMTGTJBFERIOFN-BBBLOLIVSA-N
MW225.29 g/mol
LogP1.20
Rot. Bonds3

About ethyl 2-[(1R,2R,8S)-1-methyl-3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-2-yl]acetate

ethyl 2-[(1R,2R,8S)-1-methyl-3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-2-yl]acetate (PubChem CID 101265475) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is ethyl 2-[(1R,2R,8S)-1-methyl-3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(1R,2R,8S)-1-methyl-3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-2-yl]acetate
PubChem CID101265475
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Nameethyl 2-[(1R,2R,8S)-1-methyl-3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-2-yl]acetate
SMILESCCOC(=O)C[C@H]1C(=O)N2CCC[C@H]2[C@@H]1C
InChIInChI=1S/C12H19NO3/c1-3-16-11(14)7-9-8(2)10-5-4-6-13(10)12(9)15/h8-10H,3-7H2,1-2H3/t8-,9-,10+/m1/s1
InChIKeyAMTGTJBFERIOFN-BBBLOLIVSA-N
XLogP1.20
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[(1R,2R,8S)-1-methyl-3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-2-yl]acetate 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

Methyl 2-[(2-oxooxolan-3-yl)methyl]pyrrolidine-1-carboxylate
CID 11183756
[(1R,8R)-3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl]methyl acetate
CID 11446922
(5S)-1-methyl-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]pyrrolidin-2-one
CID 59336255
ethyl 3-(3,5-dioxo-2,6,7,8-tetrahydro-1H-pyrrolizin-1-yl)propanoate
CID 70409024
methyl 3-(3,5-dioxo-2,6,7,8-tetrahydro-1H-pyrrolizin-1-yl)propanoate
CID 70409213
2-methylpropyl 3-(3,5-dioxo-2,6,7,8-tetrahydro-1H-pyrrolizin-1-yl)propanoate
CID 70454945
1-O-(2,3-dimethylbutyl) 4-O-propan-2-yl 2,3-bis[3-methyl-2-(2-oxopyrrolidin-1-yl)butyl]butanedioate
CID 121244422
1-O-methyl 4-O-(2-methylpropyl) 2,3-bis[2-(2-oxopyrrolidin-1-yl)propyl]butanedioate
CID 121247804
Didecyl 2-methyl-3-[3-(2-oxopyrrolidin-1-yl)butyl]butanedioate
CID 152827058
[(1R,8S)-3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl]methyl propanoate
CID 10013380
ethyl 2-[(1S,8S)-3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl]acetate
CID 10330789
[(1R,2R,8S)-2-methyl-3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl]methyl acetate
CID 10822385

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1R,2R,8S)-1-methyl-3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-2-yl]acetate?
The IUPAC name of ethyl 2-[(1R,2R,8S)-1-methyl-3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-2-yl]acetate (CID 101265475) is ethyl 2-[(1R,2R,8S)-1-methyl-3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[(1R,2R,8S)-1-methyl-3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-2-yl]acetate?
The canonical SMILES for ethyl 2-[(1R,2R,8S)-1-methyl-3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-2-yl]acetate is CCOC(=O)C[C@H]1C(=O)N2CCC[C@H]2[C@@H]1C.
What is the InChIKey of ethyl 2-[(1R,2R,8S)-1-methyl-3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-2-yl]acetate?
The InChIKey is AMTGTJBFERIOFN-BBBLOLIVSA-N. The full InChI is InChI=1S/C12H19NO3/c1-3-16-11(14)7-9-8(2)10-5-4-6-13(10)12(9)15/h8-10H,3-7H2,1-2H3/t8-,9-,10+/m1/s1.
What are the key properties of ethyl 2-[(1R,2R,8S)-1-methyl-3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-2-yl]acetate?
ethyl 2-[(1R,2R,8S)-1-methyl-3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-2-yl]acetate has a molecular weight of 225.29 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1R,2R,8S)-1-methyl-3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-2-yl]acetate is sourced from PubChem (CID 101265475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).