methyl 1-(2-oxo-2-propan-2-yloxyethyl)pyrrolidine-2-carboxylate

C11H19NO4 — CID 62028449

IUPACmethyl 1-(2-oxo-2-propan-2-yloxyethyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1CC(=O)OC(C)C
InChIInChI=1S/C11H19NO4/c1-8(2)16-10(13)7-12-6-4-5-9(12)11(14)15-3/h8-9H,4-7H2,1-3H3
InChIKeyVZIJBARRZDDEFH-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.58
Rot. Bonds4

About methyl 1-(2-oxo-2-propan-2-yloxyethyl)pyrrolidine-2-carboxylate

methyl 1-(2-oxo-2-propan-2-yloxyethyl)pyrrolidine-2-carboxylate (PubChem CID 62028449) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is methyl 1-(2-oxo-2-propan-2-yloxyethyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-oxo-2-propan-2-yloxyethyl)pyrrolidine-2-carboxylate
PubChem CID62028449
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Namemethyl 1-(2-oxo-2-propan-2-yloxyethyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1CC(=O)OC(C)C
InChIInChI=1S/C11H19NO4/c1-8(2)16-10(13)7-12-6-4-5-9(12)11(14)15-3/h8-9H,4-7H2,1-3H3
InChIKeyVZIJBARRZDDEFH-UHFFFAOYSA-N
XLogP0.58
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
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

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Related Compounds

methyl (2S)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-2-carboxylate
CID 155797910
propan-2-yl 2-(2-cyclopentylpyrrolidin-1-yl)acetate
CID 61068973
methyl 1-[2-(tert-butylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62027276
methyl 1-(cyclopropylmethyl)pyrrolidine-2-carboxylate
CID 62026927
methyl 1-[2-(cyanomethylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62027282
methyl (2R)-1-(2-chloroethyl)pyrrolidine-2-carboxylate
CID 121475348
methyl 1-[2-(azetidin-1-yl)-2-oxoethyl]piperidine-2-carboxylate
CID 115280662
methyl (2R)-1-(2-bromoprop-2-enyl)piperidine-2-carboxylate
CID 115371331
propan-2-yl 2-[2-(methylaminomethyl)piperidin-1-yl]acetate
CID 63249964
methyl (2S)-1-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]pyrrolidine-2-carboxylate
CID 95627703
methyl (2S)-1-(3-methylbut-2-enyl)pyrrolidine-2-carboxylate
CID 167424359
[(2S)-2-propan-2-yloxycarbonylpyrrolidin-1-yl]methylphosphonic acid
CID 25153972

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-oxo-2-propan-2-yloxyethyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(2-oxo-2-propan-2-yloxyethyl)pyrrolidine-2-carboxylate (CID 62028449) is methyl 1-(2-oxo-2-propan-2-yloxyethyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(2-oxo-2-propan-2-yloxyethyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(2-oxo-2-propan-2-yloxyethyl)pyrrolidine-2-carboxylate is COC(=O)C1CCCN1CC(=O)OC(C)C.
What is the InChIKey of methyl 1-(2-oxo-2-propan-2-yloxyethyl)pyrrolidine-2-carboxylate?
The InChIKey is VZIJBARRZDDEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-8(2)16-10(13)7-12-6-4-5-9(12)11(14)15-3/h8-9H,4-7H2,1-3H3.
What are the key properties of methyl 1-(2-oxo-2-propan-2-yloxyethyl)pyrrolidine-2-carboxylate?
methyl 1-(2-oxo-2-propan-2-yloxyethyl)pyrrolidine-2-carboxylate has a molecular weight of 229.28 g/mol, XLogP of 0.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-oxo-2-propan-2-yloxyethyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 62028449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).