(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate

C18H24N2O5 — CID 166241313

IUPAC(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
SMILESCC(C)N1CC(COC(=O)C2CCCN2C(=O)c2ccco2)CC1=O
InChIInChI=1S/C18H24N2O5/c1-12(2)20-10-13(9-16(20)21)11-25-18(23)14-5-3-7-19(14)17(22)15-6-4-8-24-15/h4,6,8,12-14H,3,5,7,9-11H2,1-2H3
InChIKeyPJTAWPRMBRFPAP-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.68
Rot. Bonds5

About (5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate

(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate (PubChem CID 166241313) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is (5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Name(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
PubChem CID166241313
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
SMILESCC(C)N1CC(COC(=O)C2CCCN2C(=O)c2ccco2)CC1=O
InChIInChI=1S/C18H24N2O5/c1-12(2)20-10-13(9-16(20)21)11-25-18(23)14-5-3-7-19(14)17(22)15-6-4-8-24-15/h4,6,8,12-14H,3,5,7,9-11H2,1-2H3
InChIKeyPJTAWPRMBRFPAP-UHFFFAOYSA-N
XLogP1.68
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2S)-1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]oxypropyl (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 55944214
tert-butyl (2R)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 81002523
undecyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 91724066
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 55944359
(6-methoxynaphthalen-2-yl)methyl 1-(furan-2-carbonyl)piperidine-2-carboxylate
CID 60554533
[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 55368985
(2S)-1-(furan-2-carbonyl)-N-[(1S)-1-(furan-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 32766924
(4-pyrazol-1-ylphenyl)methyl (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 31805458
[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 55368960
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 55944091
(2S)-1-(furan-2-carbonyl)-N-phenylmethoxypyrrolidine-2-carboxamide
CID 32581229
(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 55374739

Frequently Asked Questions

What is the IUPAC name of (5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of (5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate (CID 166241313) is (5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for (5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for (5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate is CC(C)N1CC(COC(=O)C2CCCN2C(=O)c2ccco2)CC1=O.
What is the InChIKey of (5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate?
The InChIKey is PJTAWPRMBRFPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-12(2)20-10-13(9-16(20)21)11-25-18(23)14-5-3-7-19(14)17(22)15-6-4-8-24-15/h4,6,8,12-14H,3,5,7,9-11H2,1-2H3.
What are the key properties of (5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate?
(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate has a molecular weight of 348.40 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 166241313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).