methyl (2S)-1-(3-ethoxyoxiran-2-yl)pyrrolidine-2-carboxylate

C10H17NO4 — CID 138482169

IUPACmethyl (2S)-1-(3-ethoxyoxiran-2-yl)pyrrolidine-2-carboxylate
SMILESCCOC1OC1N1CCC[C@H]1C(=O)OC
InChIInChI=1S/C10H17NO4/c1-3-14-10-8(15-10)11-6-4-5-7(11)9(12)13-2/h7-8,10H,3-6H2,1-2H3/t7-,8?,10?/m0/s1
InChIKeyUQFRHTSWQFEENM-JEUQWKINSA-N
MW215.25 g/mol
LogP0.34
Rot. Bonds4

About methyl (2S)-1-(3-ethoxyoxiran-2-yl)pyrrolidine-2-carboxylate

methyl (2S)-1-(3-ethoxyoxiran-2-yl)pyrrolidine-2-carboxylate (PubChem CID 138482169) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is methyl (2S)-1-(3-ethoxyoxiran-2-yl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-1-(3-ethoxyoxiran-2-yl)pyrrolidine-2-carboxylate
PubChem CID138482169
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Namemethyl (2S)-1-(3-ethoxyoxiran-2-yl)pyrrolidine-2-carboxylate
SMILESCCOC1OC1N1CCC[C@H]1C(=O)OC
InChIInChI=1S/C10H17NO4/c1-3-14-10-8(15-10)11-6-4-5-7(11)9(12)13-2/h7-8,10H,3-6H2,1-2H3/t7-,8?,10?/m0/s1
InChIKeyUQFRHTSWQFEENM-JEUQWKINSA-N
XLogP0.34
TPSA51.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-1-cycloheptylpyrrolidine-2-carboxylate;propane
CID 178021629
methyl 4-oxo-1-(3-propoxyoxiran-2-yl)pyrrolidine-2-carboxylate
CID 91275399
methyl 1-methylpyrrolidine-2-carboxylate
CID 529062
methyl (2S)-1-hydroxypyrrolidine-2-carboxylate
CID 11240554
methyl 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylate
CID 45115998
methyl (2R)-1-(4-ethylcyclohexyl)piperidine-2-carboxylate
CID 115537940
methyl 1-(cyclopropylmethyl)pyrrolidine-2-carboxylate
CID 62026927
methyl (5S,8R,8aS)-8-propyl-1,2,3,5,6,7,8,8a-octahydroindolizine-5-carboxylate
CID 10775579
methyl 1-[2-(aminomethyl)cycloheptyl]pyrrolidine-2-carboxylate
CID 63382875
methyl 1-(2-oxooxolan-3-yl)pyrrolidine-2-carboxylate
CID 62028796
ethyl (5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-5-carboxylate
CID 10965477
methyl 1-(oxan-4-ylmethyl)pyrrolidine-2-carboxylate
CID 62385917

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-1-(3-ethoxyoxiran-2-yl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S)-1-(3-ethoxyoxiran-2-yl)pyrrolidine-2-carboxylate (CID 138482169) is methyl (2S)-1-(3-ethoxyoxiran-2-yl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S)-1-(3-ethoxyoxiran-2-yl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S)-1-(3-ethoxyoxiran-2-yl)pyrrolidine-2-carboxylate is CCOC1OC1N1CCC[C@H]1C(=O)OC.
What is the InChIKey of methyl (2S)-1-(3-ethoxyoxiran-2-yl)pyrrolidine-2-carboxylate?
The InChIKey is UQFRHTSWQFEENM-JEUQWKINSA-N. The full InChI is InChI=1S/C10H17NO4/c1-3-14-10-8(15-10)11-6-4-5-7(11)9(12)13-2/h7-8,10H,3-6H2,1-2H3/t7-,8?,10?/m0/s1.
What are the key properties of methyl (2S)-1-(3-ethoxyoxiran-2-yl)pyrrolidine-2-carboxylate?
methyl (2S)-1-(3-ethoxyoxiran-2-yl)pyrrolidine-2-carboxylate has a molecular weight of 215.25 g/mol, XLogP of 0.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-1-(3-ethoxyoxiran-2-yl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 138482169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).