methyl 2-(4-hydroxy-3-methyl-2-oxopyrrolidin-1-yl)-4-methylpentanoate

C12H21NO4 — CID 77299291

IUPACmethyl 2-(4-hydroxy-3-methyl-2-oxopyrrolidin-1-yl)-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)N1CC(O)C(C)C1=O
InChIInChI=1S/C12H21NO4/c1-7(2)5-9(12(16)17-4)13-6-10(14)8(3)11(13)15/h7-10,14H,5-6H2,1-4H3
InChIKeyOPISWDMMZOYODN-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.41
Rot. Bonds4

About methyl 2-(4-hydroxy-3-methyl-2-oxopyrrolidin-1-yl)-4-methylpentanoate

methyl 2-(4-hydroxy-3-methyl-2-oxopyrrolidin-1-yl)-4-methylpentanoate (PubChem CID 77299291) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is methyl 2-(4-hydroxy-3-methyl-2-oxopyrrolidin-1-yl)-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-(4-hydroxy-3-methyl-2-oxopyrrolidin-1-yl)-4-methylpentanoate
PubChem CID77299291
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Namemethyl 2-(4-hydroxy-3-methyl-2-oxopyrrolidin-1-yl)-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)N1CC(O)C(C)C1=O
InChIInChI=1S/C12H21NO4/c1-7(2)5-9(12(16)17-4)13-6-10(14)8(3)11(13)15/h7-10,14H,5-6H2,1-4H3
InChIKeyOPISWDMMZOYODN-UHFFFAOYSA-N
XLogP0.41
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-Butyl (2S)-3-hydroxy-2-isopropyl-5-oxopyrrolidine-1-carboxylate
CID 51342197
methyl (2S)-1-[(2S)-3-hydroxy-2-methylpropanoyl]pyrrolidine-2-carboxylate
CID 6636174
(4S,5S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylic acid
CID 58831683
N-(2-(S)-Methyl-3(R)-hydroxy-4-methylpentanoyl)-4(R)-methoxy carbonyl-1,3-oxazolidine-2-thione
CID 6711600
(4S)-3-[(3S)-5-fluoro-3-hydroxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 59907770
(4S)-3-[(3R)-5-fluoro-3-hydroxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 59907790
(4R)-3-[(3R)-5-fluoro-3-hydroxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 70118281
(4R)-3-[(3S)-5-fluoro-3-hydroxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 70119899
(4S)-3-[(3R)-3-hydroxy-4-methylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10562191
(4S)-3-[(2S,3R)-3-hydroxy-2,4-dimethylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10956219
(4S)-3-[(2R,3S)-3-hydroxy-2,4-dimethylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 12684902
(4S)-3-[(2R,3R)-3-hydroxy-2,4-dimethylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 12684903

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-hydroxy-3-methyl-2-oxopyrrolidin-1-yl)-4-methylpentanoate?
The IUPAC name of methyl 2-(4-hydroxy-3-methyl-2-oxopyrrolidin-1-yl)-4-methylpentanoate (CID 77299291) is methyl 2-(4-hydroxy-3-methyl-2-oxopyrrolidin-1-yl)-4-methylpentanoate.
What is the SMILES notation for methyl 2-(4-hydroxy-3-methyl-2-oxopyrrolidin-1-yl)-4-methylpentanoate?
The canonical SMILES for methyl 2-(4-hydroxy-3-methyl-2-oxopyrrolidin-1-yl)-4-methylpentanoate is COC(=O)C(CC(C)C)N1CC(O)C(C)C1=O.
What is the InChIKey of methyl 2-(4-hydroxy-3-methyl-2-oxopyrrolidin-1-yl)-4-methylpentanoate?
The InChIKey is OPISWDMMZOYODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-7(2)5-9(12(16)17-4)13-6-10(14)8(3)11(13)15/h7-10,14H,5-6H2,1-4H3.
What are the key properties of methyl 2-(4-hydroxy-3-methyl-2-oxopyrrolidin-1-yl)-4-methylpentanoate?
methyl 2-(4-hydroxy-3-methyl-2-oxopyrrolidin-1-yl)-4-methylpentanoate has a molecular weight of 243.30 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-hydroxy-3-methyl-2-oxopyrrolidin-1-yl)-4-methylpentanoate is sourced from PubChem (CID 77299291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).