2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)-3,3-dimethylbutanoate

C14H24NO4- — CID 57375372

IUPAC2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)-3,3-dimethylbutanoate
SMILESCCC1(CC)C(=O)NCC1(O)C(C(=O)[O-])C(C)(C)C
InChIInChI=1S/C14H25NO4/c1-6-13(7-2)11(18)15-8-14(13,19)9(10(16)17)12(3,4)5/h9,19H,6-8H2,1-5H3,(H,15,18)(H,16,17)/p-1
InChIKeyLGTWZNIQSSUMHP-UHFFFAOYSA-M
MW270.35 g/mol
LogP0.07
Rot. Bonds4

About 2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)-3,3-dimethylbutanoate

2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)-3,3-dimethylbutanoate (PubChem CID 57375372) has the molecular formula C14H24NO4- and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)-3,3-dimethylbutanoate.

Molecular Properties

Compound Name2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)-3,3-dimethylbutanoate
PubChem CID57375372
Molecular FormulaC14H24NO4-
Molecular Weight270.35 g/mol
Exact Mass270.17
IUPAC Name2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)-3,3-dimethylbutanoate
SMILESCCC1(CC)C(=O)NCC1(O)C(C(=O)[O-])C(C)(C)C
InChIInChI=1S/C14H25NO4/c1-6-13(7-2)11(18)15-8-14(13,19)9(10(16)17)12(3,4)5/h9,19H,6-8H2,1-5H3,(H,15,18)(H,16,17)/p-1
InChIKeyLGTWZNIQSSUMHP-UHFFFAOYSA-M
XLogP0.07
TPSA89.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R,4S)-4-butyl-3-(carboxymethyl)-3-hydroxy-5-oxopyrrolidine-2-carboxylic acid
CID 101576640
(4,4-Diethyl-3-hydroxy-5-oxo-pyrrolidin-3-yl)acetic acid, methyl ester
CID 566777
(4,4-Diethyl-3-hydroxy-5-oxo-pyrrolidin-3-yl)-acetic acid, t-butyl ester
CID 566985
3-(4-Hydroxy-4-methoxycarbonylmethyl-3-methyl-2-oxopyrrolidin-3-yl)propionic acid, methyl ester
CID 613935
2-(4,4-Diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)propanoate
CID 57375370
2-(4,4-Diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)propanoic acid
CID 57375371
2-(4,4-Diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)-3,3-dimethylbutanoic acid
CID 57375373
(2S,3S,4R)-4-butyl-3-(carboxymethyl)-3-hydroxy-5-oxopyrrolidine-2-carboxylic acid
CID 101576639

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)-3,3-dimethylbutanoate?
The IUPAC name of 2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)-3,3-dimethylbutanoate (CID 57375372) is 2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)-3,3-dimethylbutanoate.
What is the SMILES notation for 2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)-3,3-dimethylbutanoate?
The canonical SMILES for 2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)-3,3-dimethylbutanoate is CCC1(CC)C(=O)NCC1(O)C(C(=O)[O-])C(C)(C)C.
What is the InChIKey of 2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)-3,3-dimethylbutanoate?
The InChIKey is LGTWZNIQSSUMHP-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H25NO4/c1-6-13(7-2)11(18)15-8-14(13,19)9(10(16)17)12(3,4)5/h9,19H,6-8H2,1-5H3,(H,15,18)(H,16,17)/p-1.
What are the key properties of 2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)-3,3-dimethylbutanoate?
2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)-3,3-dimethylbutanoate has a molecular weight of 270.35 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)-3,3-dimethylbutanoate is sourced from PubChem (CID 57375372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).