ethyl 2-(5-oxo-1,2,3,6,7,8-hexahydropyrrolizin-3-yl)acetate

C11H17NO3 — CID 121224592

IUPACethyl 2-(5-oxo-1,2,3,6,7,8-hexahydropyrrolizin-3-yl)acetate
SMILESCCOC(=O)CC1CCC2CCC(=O)N21
InChIInChI=1S/C11H17NO3/c1-2-15-11(14)7-9-4-3-8-5-6-10(13)12(8)9/h8-9H,2-7H2,1H3
InChIKeyDJUTZXIPTQULPN-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.09
Rot. Bonds3

About ethyl 2-(5-oxo-1,2,3,6,7,8-hexahydropyrrolizin-3-yl)acetate

ethyl 2-(5-oxo-1,2,3,6,7,8-hexahydropyrrolizin-3-yl)acetate (PubChem CID 121224592) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is ethyl 2-(5-oxo-1,2,3,6,7,8-hexahydropyrrolizin-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-oxo-1,2,3,6,7,8-hexahydropyrrolizin-3-yl)acetate
PubChem CID121224592
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Nameethyl 2-(5-oxo-1,2,3,6,7,8-hexahydropyrrolizin-3-yl)acetate
SMILESCCOC(=O)CC1CCC2CCC(=O)N21
InChIInChI=1S/C11H17NO3/c1-2-15-11(14)7-9-4-3-8-5-6-10(13)12(8)9/h8-9H,2-7H2,1H3
InChIKeyDJUTZXIPTQULPN-UHFFFAOYSA-N
XLogP1.09
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-(5-oxo-1,2,3,6,7,8-hexahydropyrrolizin-3-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

ethyl 2-[(2R,8R)-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizin-8-yl]acetate
CID 177853140
Pyrrolizidine-3-one-5-ol, ethyl ether
CID 544423
ethyl (1S,8S)-5-oxo-1,2,3,6,7,8-hexahydropyrrolizine-1-carboxylate
CID 13088886
methyl 3-[(3R,8S)-5-oxo-1,2,3,6,7,8-hexahydropyrrolizin-3-yl]propanoate
CID 15249737
(3-Ethoxy-5-oxo-1,2,3,6,7,8-hexahydropyrrolizin-1-yl)methyl acetate
CID 85682760
Pyrrolizin-1-one, 7-[2,2-dimethoxy-1-propyl]-
CID 540193
Pyrrolizidine-3-one, 5-hexyloxy-
CID 580146
methyl (2R,8R)-2-methyl-5-oxo-3,6,7,8-tetrahydro-1H-pyrrolizine-2-carboxylate
CID 101545936
5-Methoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 20682627
Ethyl 3-(1-ethyl-5-oxopyrrolidin-2-yl)propanoate
CID 57811595
methyl 2-[(8S,10aR)-2-acetyl-6-oxo-1,3,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,4]diazocin-8-yl]acetate
CID 170222840
[(1R,8S)-3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl]methyl propanoate
CID 10013380

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-oxo-1,2,3,6,7,8-hexahydropyrrolizin-3-yl)acetate?
The IUPAC name of ethyl 2-(5-oxo-1,2,3,6,7,8-hexahydropyrrolizin-3-yl)acetate (CID 121224592) is ethyl 2-(5-oxo-1,2,3,6,7,8-hexahydropyrrolizin-3-yl)acetate.
What is the SMILES notation for ethyl 2-(5-oxo-1,2,3,6,7,8-hexahydropyrrolizin-3-yl)acetate?
The canonical SMILES for ethyl 2-(5-oxo-1,2,3,6,7,8-hexahydropyrrolizin-3-yl)acetate is CCOC(=O)CC1CCC2CCC(=O)N21.
What is the InChIKey of ethyl 2-(5-oxo-1,2,3,6,7,8-hexahydropyrrolizin-3-yl)acetate?
The InChIKey is DJUTZXIPTQULPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-2-15-11(14)7-9-4-3-8-5-6-10(13)12(8)9/h8-9H,2-7H2,1H3.
What are the key properties of ethyl 2-(5-oxo-1,2,3,6,7,8-hexahydropyrrolizin-3-yl)acetate?
ethyl 2-(5-oxo-1,2,3,6,7,8-hexahydropyrrolizin-3-yl)acetate has a molecular weight of 211.26 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-oxo-1,2,3,6,7,8-hexahydropyrrolizin-3-yl)acetate is sourced from PubChem (CID 121224592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).