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

C11H19NO4 — CID 57375371

IUPAC2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)propanoic acid
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)
InChIKeyAABPZPOBHFBIML-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.37
Rot. Bonds4

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

2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)propanoic acid (PubChem CID 57375371) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)propanoic acid
PubChem CID57375371
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)propanoic acid
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)
InChIKeyAABPZPOBHFBIML-UHFFFAOYSA-N
XLogP0.37
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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)-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)propanoic acid?
The IUPAC name of 2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)propanoic acid (CID 57375371) is 2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)propanoic acid.
What is the SMILES notation for 2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)propanoic acid?
The canonical SMILES for 2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)propanoic acid 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)propanoic acid?
The InChIKey is AABPZPOBHFBIML-UHFFFAOYSA-N. 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).
What are the key properties of 2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)propanoic acid?
2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)propanoic acid has a molecular weight of 229.28 g/mol, XLogP of 0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)propanoic acid is sourced from PubChem (CID 57375371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).