methyl 2-ethyl-6-methyl-4-(2-oxopyrrolidin-1-yl)octanoate

C16H29NO3 — CID 54491033

IUPACmethyl 2-ethyl-6-methyl-4-(2-oxopyrrolidin-1-yl)octanoate
SMILESCCC(C)CC(CC(CC)C(=O)OC)N1CCCC1=O
InChIInChI=1S/C16H29NO3/c1-5-12(3)10-14(17-9-7-8-15(17)18)11-13(6-2)16(19)20-4/h12-14H,5-11H2,1-4H3
InChIKeyXVSPXFVZXVJFSZ-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.00
Rot. Bonds8

About methyl 2-ethyl-6-methyl-4-(2-oxopyrrolidin-1-yl)octanoate

methyl 2-ethyl-6-methyl-4-(2-oxopyrrolidin-1-yl)octanoate (PubChem CID 54491033) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is methyl 2-ethyl-6-methyl-4-(2-oxopyrrolidin-1-yl)octanoate.

Molecular Properties

Compound Namemethyl 2-ethyl-6-methyl-4-(2-oxopyrrolidin-1-yl)octanoate
PubChem CID54491033
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Namemethyl 2-ethyl-6-methyl-4-(2-oxopyrrolidin-1-yl)octanoate
SMILESCCC(C)CC(CC(CC)C(=O)OC)N1CCCC1=O
InChIInChI=1S/C16H29NO3/c1-5-12(3)10-14(17-9-7-8-15(17)18)11-13(6-2)16(19)20-4/h12-14H,5-11H2,1-4H3
InChIKeyXVSPXFVZXVJFSZ-UHFFFAOYSA-N
XLogP3.00
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Bis(2-butyloctyl) 10-[2-fluorononanoyl(4-pyrrolidin-1-ylbutyl)amino]nonadecanedioate
CID 168943897
Bis(2-butyloctyl) 10-[2-fluorononanoyl(3-pyrrolidin-1-ylpropyl)amino]nonadecanedioate
CID 168943900
1-O-(2-butylheptyl) 19-O-(2-propylhexyl) 10-[2-fluorononanoyl(3-pyrrolidin-1-ylpropyl)amino]nonadecanedioate
CID 177078521
ethyl (4R)-4-amino-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate
CID 137349085
Tert-butyl 2-(4-ethoxy-4-oxobutan-2-yl)pyrrolidine-1-carboxylate
CID 10755571
Tert-butyl 2-(4-ethoxy-3-methyl-4-oxobutan-2-yl)pyrrolidine-1-carboxylate
CID 10828019
Methyl 2-[(2-oxooxolan-3-yl)methyl]pyrrolidine-1-carboxylate
CID 11183756
Dimethyl 2-(1-methoxycarbonylpyrrolidin-2-yl)butanedioate
CID 11219528
methyl (1S,2S,5S)-2-methyl-5-propan-2-yl-2-(pyrrolidine-1-carbonyl)cyclopentane-1-carboxylate
CID 14465395
Tert-butyl 2-(4-methoxy-4-oxobutan-2-yl)pyrrolidine-1-carboxylate
CID 85374092
Methyl 2-[3-(2-methylpropoxy)-3-oxopropyl]pyrrolidine-1-carboxylate
CID 102021666
Methyl 2-(3-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate
CID 102021667

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-6-methyl-4-(2-oxopyrrolidin-1-yl)octanoate?
The IUPAC name of methyl 2-ethyl-6-methyl-4-(2-oxopyrrolidin-1-yl)octanoate (CID 54491033) is methyl 2-ethyl-6-methyl-4-(2-oxopyrrolidin-1-yl)octanoate.
What is the SMILES notation for methyl 2-ethyl-6-methyl-4-(2-oxopyrrolidin-1-yl)octanoate?
The canonical SMILES for methyl 2-ethyl-6-methyl-4-(2-oxopyrrolidin-1-yl)octanoate is CCC(C)CC(CC(CC)C(=O)OC)N1CCCC1=O.
What is the InChIKey of methyl 2-ethyl-6-methyl-4-(2-oxopyrrolidin-1-yl)octanoate?
The InChIKey is XVSPXFVZXVJFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-5-12(3)10-14(17-9-7-8-15(17)18)11-13(6-2)16(19)20-4/h12-14H,5-11H2,1-4H3.
What are the key properties of methyl 2-ethyl-6-methyl-4-(2-oxopyrrolidin-1-yl)octanoate?
methyl 2-ethyl-6-methyl-4-(2-oxopyrrolidin-1-yl)octanoate has a molecular weight of 283.41 g/mol, XLogP of 3.00, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-6-methyl-4-(2-oxopyrrolidin-1-yl)octanoate is sourced from PubChem (CID 54491033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).