1-[(2S,4R)-4-ethoxy-2-(methoxymethyl)pyrrolidin-1-yl]ethanone

C10H19NO3 — CID 153365620

IUPAC1-[(2S,4R)-4-ethoxy-2-(methoxymethyl)pyrrolidin-1-yl]ethanone
SMILESCCO[C@@H]1C[C@@H](COC)N(C(C)=O)C1
InChIInChI=1S/C10H19NO3/c1-4-14-10-5-9(7-13-3)11(6-10)8(2)12/h9-10H,4-7H2,1-3H3/t9-,10+/m0/s1
InChIKeyCRPMYVSUVJDDSS-VHSXEESVSA-N
MW201.27 g/mol
LogP0.66
Rot. Bonds4

About 1-[(2S,4R)-4-ethoxy-2-(methoxymethyl)pyrrolidin-1-yl]ethanone

1-[(2S,4R)-4-ethoxy-2-(methoxymethyl)pyrrolidin-1-yl]ethanone (PubChem CID 153365620) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-[(2S,4R)-4-ethoxy-2-(methoxymethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,4R)-4-ethoxy-2-(methoxymethyl)pyrrolidin-1-yl]ethanone
PubChem CID153365620
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name1-[(2S,4R)-4-ethoxy-2-(methoxymethyl)pyrrolidin-1-yl]ethanone
SMILESCCO[C@@H]1C[C@@H](COC)N(C(C)=O)C1
InChIInChI=1S/C10H19NO3/c1-4-14-10-5-9(7-13-3)11(6-10)8(2)12/h9-10H,4-7H2,1-3H3/t9-,10+/m0/s1
InChIKeyCRPMYVSUVJDDSS-VHSXEESVSA-N
XLogP0.66
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidine-1-carboxamide
CID 167729627
1-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 155238412
1-[2-(methoxymethyl)azetidin-1-yl]ethanone
CID 176625607
(2S,4S)-4-hydroxy-2-(methoxymethyl)pyrrolidine-1-carboxylic acid
CID 66670441
2-(cyclopropylmethoxy)-1-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 128983185
(2S,5S)-1-acetyl-5-methoxypiperidine-2-carbaldehyde
CID 130291367
[(3R,5S)-1-acetyl-5-(ethoxymethyl)pyrrolidin-3-yl]oxy-propan-2-ylphosphinic acid
CID 167100436
1-[2-(methoxymethyl)-4-methylpyrrolidin-1-yl]propan-1-one
CID 170768335
1-[4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-4-methyloctane-1,6-dione
CID 118494456
(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)pyrrolidine-1-carboxylic acid
CID 69007279
ethanol;1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone;propane
CID 178050094
ethane;1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 143652915

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4R)-4-ethoxy-2-(methoxymethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(2S,4R)-4-ethoxy-2-(methoxymethyl)pyrrolidin-1-yl]ethanone (CID 153365620) is 1-[(2S,4R)-4-ethoxy-2-(methoxymethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S,4R)-4-ethoxy-2-(methoxymethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(2S,4R)-4-ethoxy-2-(methoxymethyl)pyrrolidin-1-yl]ethanone is CCO[C@@H]1C[C@@H](COC)N(C(C)=O)C1.
What is the InChIKey of 1-[(2S,4R)-4-ethoxy-2-(methoxymethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is CRPMYVSUVJDDSS-VHSXEESVSA-N. The full InChI is InChI=1S/C10H19NO3/c1-4-14-10-5-9(7-13-3)11(6-10)8(2)12/h9-10H,4-7H2,1-3H3/t9-,10+/m0/s1.
What are the key properties of 1-[(2S,4R)-4-ethoxy-2-(methoxymethyl)pyrrolidin-1-yl]ethanone?
1-[(2S,4R)-4-ethoxy-2-(methoxymethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 201.27 g/mol, XLogP of 0.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4R)-4-ethoxy-2-(methoxymethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 153365620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).