methyl 3-[(2S)-2-(2-methoxy-2-oxoethyl)pyrrolidin-1-yl]propanoate

C11H19NO4 — CID 10657024

IUPACmethyl 3-[(2S)-2-(2-methoxy-2-oxoethyl)pyrrolidin-1-yl]propanoate
SMILESCOC(=O)CCN1CCC[C@H]1CC(=O)OC
InChIInChI=1S/C11H19NO4/c1-15-10(13)5-7-12-6-3-4-9(12)8-11(14)16-2/h9H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyRDEBIGSNNYUJQN-VIFPVBQESA-N
MW229.28 g/mol
LogP0.58
Rot. Bonds5

About methyl 3-[(2S)-2-(2-methoxy-2-oxoethyl)pyrrolidin-1-yl]propanoate

methyl 3-[(2S)-2-(2-methoxy-2-oxoethyl)pyrrolidin-1-yl]propanoate (PubChem CID 10657024) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is methyl 3-[(2S)-2-(2-methoxy-2-oxoethyl)pyrrolidin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2S)-2-(2-methoxy-2-oxoethyl)pyrrolidin-1-yl]propanoate
PubChem CID10657024
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Namemethyl 3-[(2S)-2-(2-methoxy-2-oxoethyl)pyrrolidin-1-yl]propanoate
SMILESCOC(=O)CCN1CCC[C@H]1CC(=O)OC
InChIInChI=1S/C11H19NO4/c1-15-10(13)5-7-12-6-3-4-9(12)8-11(14)16-2/h9H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyRDEBIGSNNYUJQN-VIFPVBQESA-N
XLogP0.58
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3-[(2S)-2-(2-methoxy-2-oxoethyl)pyrrolidin-1-yl]propanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2S)-2-(2-methoxy-2-oxoethyl)pyrrolidin-1-yl]propanoate?
The IUPAC name of methyl 3-[(2S)-2-(2-methoxy-2-oxoethyl)pyrrolidin-1-yl]propanoate (CID 10657024) is methyl 3-[(2S)-2-(2-methoxy-2-oxoethyl)pyrrolidin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[(2S)-2-(2-methoxy-2-oxoethyl)pyrrolidin-1-yl]propanoate?
The canonical SMILES for methyl 3-[(2S)-2-(2-methoxy-2-oxoethyl)pyrrolidin-1-yl]propanoate is COC(=O)CCN1CCC[C@H]1CC(=O)OC.
What is the InChIKey of methyl 3-[(2S)-2-(2-methoxy-2-oxoethyl)pyrrolidin-1-yl]propanoate?
The InChIKey is RDEBIGSNNYUJQN-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19NO4/c1-15-10(13)5-7-12-6-3-4-9(12)8-11(14)16-2/h9H,3-8H2,1-2H3/t9-/m0/s1.
What are the key properties of methyl 3-[(2S)-2-(2-methoxy-2-oxoethyl)pyrrolidin-1-yl]propanoate?
methyl 3-[(2S)-2-(2-methoxy-2-oxoethyl)pyrrolidin-1-yl]propanoate has a molecular weight of 229.28 g/mol, XLogP of 0.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2S)-2-(2-methoxy-2-oxoethyl)pyrrolidin-1-yl]propanoate is sourced from PubChem (CID 10657024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).