2-[4-(2-oxopyrrolidin-1-yl)pentanoyloxy]ethyl 5-(2-oxopyrrolidin-1-yl)hexanoate

C21H34N2O6 — CID 118547320

IUPAC2-[4-(2-oxopyrrolidin-1-yl)pentanoyloxy]ethyl 5-(2-oxopyrrolidin-1-yl)hexanoate
SMILESCC(CCCC(=O)OCCOC(=O)CCC(C)N1CCCC1=O)N1CCCC1=O
InChIInChI=1S/C21H34N2O6/c1-16(22-12-4-7-18(22)24)6-3-9-20(26)28-14-15-29-21(27)11-10-17(2)23-13-5-8-19(23)25/h16-17H,3-15H2,1-2H3
InChIKeyLRKFUORMJWOAKD-UHFFFAOYSA-N
MW410.51 g/mol
LogP2.05
Rot. Bonds12

About 2-[4-(2-oxopyrrolidin-1-yl)pentanoyloxy]ethyl 5-(2-oxopyrrolidin-1-yl)hexanoate

2-[4-(2-oxopyrrolidin-1-yl)pentanoyloxy]ethyl 5-(2-oxopyrrolidin-1-yl)hexanoate (PubChem CID 118547320) has the molecular formula C21H34N2O6 and a molecular weight of 410.51 g/mol. Its IUPAC name is 2-[4-(2-oxopyrrolidin-1-yl)pentanoyloxy]ethyl 5-(2-oxopyrrolidin-1-yl)hexanoate.

Molecular Properties

Compound Name2-[4-(2-oxopyrrolidin-1-yl)pentanoyloxy]ethyl 5-(2-oxopyrrolidin-1-yl)hexanoate
PubChem CID118547320
Molecular FormulaC21H34N2O6
Molecular Weight410.51 g/mol
Exact Mass410.24
IUPAC Name2-[4-(2-oxopyrrolidin-1-yl)pentanoyloxy]ethyl 5-(2-oxopyrrolidin-1-yl)hexanoate
SMILESCC(CCCC(=O)OCCOC(=O)CCC(C)N1CCCC1=O)N1CCCC1=O
InChIInChI=1S/C21H34N2O6/c1-16(22-12-4-7-18(22)24)6-3-9-20(26)28-14-15-29-21(27)11-10-17(2)23-13-5-8-19(23)25/h16-17H,3-15H2,1-2H3
InChIKeyLRKFUORMJWOAKD-UHFFFAOYSA-N
XLogP2.05
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(2-oxopiperidin-1-yl)hexanoic acid
CID 82847597
1-[(2S)-pentan-2-yl]pyrrolidin-2-one
CID 102393193
1-[(2R)-1-hydroxypropan-2-yl]pyrrolidin-2-one
CID 104550452
2,2-dimethylpropyl (3S)-3-(2-oxopiperidin-1-yl)butanoate
CID 99802681
2,2-dimethylpropyl 3-(2-oxopiperidin-1-yl)butanoate
CID 102564061
N-[6-(2-oxoazepan-1-yl)heptan-2-yl]acetamide
CID 134507504
5-(2,7-dioxoazepan-1-yl)hexanoic acid
CID 82846685
ethenyl 2-(2-oxopyrrolidin-1-yl)propyl carbonate
CID 22436158
2-(1-decoxy-1-oxopropan-2-yl)-4-(2-oxopyrrolidin-1-yl)pentanoic acid
CID 167676890
2-(2-oxopyrrolidin-1-yl)propanehydrazide
CID 13150926
methyl (2S)-2-[(4-ethoxy-4-oxobutyl)amino]butanoate;methyl 2-(2-oxopyrrolidin-1-yl)butanoate
CID 159535792
1-[(Z)-oct-5-en-2-yl]pyrrolidin-2-one
CID 122646586

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-oxopyrrolidin-1-yl)pentanoyloxy]ethyl 5-(2-oxopyrrolidin-1-yl)hexanoate?
The IUPAC name of 2-[4-(2-oxopyrrolidin-1-yl)pentanoyloxy]ethyl 5-(2-oxopyrrolidin-1-yl)hexanoate (CID 118547320) is 2-[4-(2-oxopyrrolidin-1-yl)pentanoyloxy]ethyl 5-(2-oxopyrrolidin-1-yl)hexanoate.
What is the SMILES notation for 2-[4-(2-oxopyrrolidin-1-yl)pentanoyloxy]ethyl 5-(2-oxopyrrolidin-1-yl)hexanoate?
The canonical SMILES for 2-[4-(2-oxopyrrolidin-1-yl)pentanoyloxy]ethyl 5-(2-oxopyrrolidin-1-yl)hexanoate is CC(CCCC(=O)OCCOC(=O)CCC(C)N1CCCC1=O)N1CCCC1=O.
What is the InChIKey of 2-[4-(2-oxopyrrolidin-1-yl)pentanoyloxy]ethyl 5-(2-oxopyrrolidin-1-yl)hexanoate?
The InChIKey is LRKFUORMJWOAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O6/c1-16(22-12-4-7-18(22)24)6-3-9-20(26)28-14-15-29-21(27)11-10-17(2)23-13-5-8-19(23)25/h16-17H,3-15H2,1-2H3.
What are the key properties of 2-[4-(2-oxopyrrolidin-1-yl)pentanoyloxy]ethyl 5-(2-oxopyrrolidin-1-yl)hexanoate?
2-[4-(2-oxopyrrolidin-1-yl)pentanoyloxy]ethyl 5-(2-oxopyrrolidin-1-yl)hexanoate has a molecular weight of 410.51 g/mol, XLogP of 2.05, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-oxopyrrolidin-1-yl)pentanoyloxy]ethyl 5-(2-oxopyrrolidin-1-yl)hexanoate is sourced from PubChem (CID 118547320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).