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

C11H19NO4 — CID 566777

IUPACmethyl 2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)acetate
SMILESCCC1(CC)C(=O)NCC1(O)CC(=O)OC
InChIInChI=1S/C11H19NO4/c1-4-10(5-2)9(14)12-7-11(10,15)6-8(13)16-3/h15H,4-7H2,1-3H3,(H,12,14)
InChIKeyHVQXENHCYDKFFS-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.22
Rot. Bonds4

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

methyl 2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)acetate (PubChem CID 566777) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is methyl 2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)acetate
PubChem CID566777
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Namemethyl 2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)acetate
SMILESCCC1(CC)C(=O)NCC1(O)CC(=O)OC
InChIInChI=1S/C11H19NO4/c1-4-10(5-2)9(14)12-7-11(10,15)6-8(13)16-3/h15H,4-7H2,1-3H3,(H,12,14)
InChIKeyHVQXENHCYDKFFS-UHFFFAOYSA-N
XLogP0.22
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(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-dimethylbutanoate
CID 57375372
2-(4,4-Diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)-3,3-dimethylbutanoic acid
CID 57375373
Methyl 2-(3-hydroxypyrrolidin-3-yl)-2-methylpropanoate
CID 131474153
2-(1-Acetyl-3-hydroxypyrrolidin-3-yl)-2-methylpropanoic acid
CID 165915320

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)acetate?
The IUPAC name of methyl 2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)acetate (CID 566777) is methyl 2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)acetate.
What is the SMILES notation for methyl 2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)acetate?
The canonical SMILES for methyl 2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)acetate is CCC1(CC)C(=O)NCC1(O)CC(=O)OC.
What is the InChIKey of methyl 2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)acetate?
The InChIKey is HVQXENHCYDKFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-4-10(5-2)9(14)12-7-11(10,15)6-8(13)16-3/h15H,4-7H2,1-3H3,(H,12,14).
What are the key properties of methyl 2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)acetate?
methyl 2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)acetate has a molecular weight of 229.28 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4,4-diethyl-3-hydroxy-5-oxopyrrolidin-3-yl)acetate is sourced from PubChem (CID 566777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).