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

C11H18NO4- — CID 57375370

IUPAC2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)propanoate
SMILESCCC1(CC)C(=O)NCC1(O)C(C)C(=O)[O-]
InChIInChI=1S/C11H19NO4/c1-4-10(5-2)9(15)12-6-11(10,16)7(3)8(13)14/h7,16H,4-6H2,1-3H3,(H,12,15)(H,13,14)/p-1
InChIKeyAABPZPOBHFBIML-UHFFFAOYSA-M
MW228.27 g/mol
LogP-0.96
Rot. Bonds4

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

2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)propanoate (PubChem CID 57375370) has the molecular formula C11H18NO4- and a molecular weight of 228.27 g/mol. Its IUPAC name is 2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)propanoate.

Molecular Properties

Compound Name2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)propanoate
PubChem CID57375370
Molecular FormulaC11H18NO4-
Molecular Weight228.27 g/mol
Exact Mass228.12
IUPAC Name2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)propanoate
SMILESCCC1(CC)C(=O)NCC1(O)C(C)C(=O)[O-]
InChIInChI=1S/C11H19NO4/c1-4-10(5-2)9(15)12-6-11(10,16)7(3)8(13)14/h7,16H,4-6H2,1-3H3,(H,12,15)(H,13,14)/p-1
InChIKeyAABPZPOBHFBIML-UHFFFAOYSA-M
XLogP-0.96
TPSA89.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 5-0.96
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)propanoic acid
CID 57375371
2-(4,4-Diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)-3,3-dimethylbutanoate
CID 57375372
2-(4,4-Diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)-3,3-dimethylbutanoic acid
CID 57375373
3-Hydroxy-3-methyl-4-(3-pyrrolidin-3-ylpropanoylamino)butanoic acid
CID 81718050
(2S,3S,4R)-4-butyl-3-(carboxymethyl)-3-hydroxy-5-oxopyrrolidine-2-carboxylic acid
CID 101576639
2-(1-Acetyl-3-hydroxypyrrolidin-3-yl)-2-methylpropanoic acid
CID 165915320

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)propanoate?
The IUPAC name of 2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)propanoate (CID 57375370) is 2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)propanoate.
What is the SMILES notation for 2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)propanoate?
The canonical SMILES for 2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)propanoate is CCC1(CC)C(=O)NCC1(O)C(C)C(=O)[O-].
What is the InChIKey of 2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)propanoate?
The InChIKey is AABPZPOBHFBIML-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H19NO4/c1-4-10(5-2)9(15)12-6-11(10,16)7(3)8(13)14/h7,16H,4-6H2,1-3H3,(H,12,15)(H,13,14)/p-1.
What are the key properties of 2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)propanoate?
2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)propanoate has a molecular weight of 228.27 g/mol, XLogP of -0.96, 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)propanoate is sourced from PubChem (CID 57375370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).