methyl 2-[2-methyl-3-(2-methylpropoxy)-3-oxopropyl]pyrrolidine-1-carboxylate

C14H25NO4 — CID 164683858

IUPACmethyl 2-[2-methyl-3-(2-methylpropoxy)-3-oxopropyl]pyrrolidine-1-carboxylate
SMILESCOC(=O)N1CCCC1CC(C)C(=O)OCC(C)C
InChIInChI=1S/C14H25NO4/c1-10(2)9-19-13(16)11(3)8-12-6-5-7-15(12)14(17)18-4/h10-12H,5-9H2,1-4H3
InChIKeyNFKMOUGIDCWHJT-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.44
Rot. Bonds5

About methyl 2-[2-methyl-3-(2-methylpropoxy)-3-oxopropyl]pyrrolidine-1-carboxylate

methyl 2-[2-methyl-3-(2-methylpropoxy)-3-oxopropyl]pyrrolidine-1-carboxylate (PubChem CID 164683858) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is methyl 2-[2-methyl-3-(2-methylpropoxy)-3-oxopropyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-methyl-3-(2-methylpropoxy)-3-oxopropyl]pyrrolidine-1-carboxylate
PubChem CID164683858
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Namemethyl 2-[2-methyl-3-(2-methylpropoxy)-3-oxopropyl]pyrrolidine-1-carboxylate
SMILESCOC(=O)N1CCCC1CC(C)C(=O)OCC(C)C
InChIInChI=1S/C14H25NO4/c1-10(2)9-19-13(16)11(3)8-12-6-5-7-15(12)14(17)18-4/h10-12H,5-9H2,1-4H3
InChIKeyNFKMOUGIDCWHJT-UHFFFAOYSA-N
XLogP2.44
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-Butyl 2-(3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 10801136
tert-butyl (2S)-2-(3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 15102601
Tert-butyl 2-(3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 58574582
Diethyl 2-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]ethyl]propanedioate
CID 124121386
tert-Butyl (2R,4R)-2-(3-ethoxy-3-oxopropyl)-4-fluoropyrrolidine-1-carboxylate
CID 117927758
(2S)-tert-butyl 4,4-difluoro-2-(3-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate
CID 118102742
(2R)-tert-butyl 2-(4-ethoxy-4-oxobutan-2-yl)-4,4-difluoropyrrolidine-1-carboxylate
CID 118102743
(2S)-tert-butyl 2-(4-ethoxy-4-oxobutan-2-yl)-4,4-difluoropyrrolidine-1-carboxylate
CID 118102862
(2R)-tert-butyl 4,4-difluoro-2-(3-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate
CID 118102925
Tert-butyl 4,4-difluoro-2-(3-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate
CID 121483162
Tert-butyl 2-(4-ethoxy-4-oxobutan-2-yl)-4,4-difluoropyrrolidine-1-carboxylate
CID 121483196
tert-butyl (2R,4S)-2-(3-ethoxy-3-oxopropyl)-4-fluoropyrrolidine-1-carboxylate
CID 172140305

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-methyl-3-(2-methylpropoxy)-3-oxopropyl]pyrrolidine-1-carboxylate?
The IUPAC name of methyl 2-[2-methyl-3-(2-methylpropoxy)-3-oxopropyl]pyrrolidine-1-carboxylate (CID 164683858) is methyl 2-[2-methyl-3-(2-methylpropoxy)-3-oxopropyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for methyl 2-[2-methyl-3-(2-methylpropoxy)-3-oxopropyl]pyrrolidine-1-carboxylate?
The canonical SMILES for methyl 2-[2-methyl-3-(2-methylpropoxy)-3-oxopropyl]pyrrolidine-1-carboxylate is COC(=O)N1CCCC1CC(C)C(=O)OCC(C)C.
What is the InChIKey of methyl 2-[2-methyl-3-(2-methylpropoxy)-3-oxopropyl]pyrrolidine-1-carboxylate?
The InChIKey is NFKMOUGIDCWHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-10(2)9-19-13(16)11(3)8-12-6-5-7-15(12)14(17)18-4/h10-12H,5-9H2,1-4H3.
What are the key properties of methyl 2-[2-methyl-3-(2-methylpropoxy)-3-oxopropyl]pyrrolidine-1-carboxylate?
methyl 2-[2-methyl-3-(2-methylpropoxy)-3-oxopropyl]pyrrolidine-1-carboxylate has a molecular weight of 271.36 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-methyl-3-(2-methylpropoxy)-3-oxopropyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 164683858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).