methyl 3-[4-hydroxy-4-(2-methoxy-2-oxoethyl)-3-methyl-2-oxopyrrolidin-3-yl]propanoate

C12H19NO6 — CID 613935

IUPACmethyl 3-[4-hydroxy-4-(2-methoxy-2-oxoethyl)-3-methyl-2-oxopyrrolidin-3-yl]propanoate
SMILESCOC(=O)CCC1(C)C(=O)NCC1(O)CC(=O)OC
InChIInChI=1S/C12H19NO6/c1-11(5-4-8(14)18-2)10(16)13-7-12(11,17)6-9(15)19-3/h17H,4-7H2,1-3H3,(H,13,16)
InChIKeyYIUPJIHKEMEIIN-UHFFFAOYSA-N
MW273.28 g/mol
LogP-0.63
Rot. Bonds5

About methyl 3-[4-hydroxy-4-(2-methoxy-2-oxoethyl)-3-methyl-2-oxopyrrolidin-3-yl]propanoate

methyl 3-[4-hydroxy-4-(2-methoxy-2-oxoethyl)-3-methyl-2-oxopyrrolidin-3-yl]propanoate (PubChem CID 613935) has the molecular formula C12H19NO6 and a molecular weight of 273.28 g/mol. Its IUPAC name is methyl 3-[4-hydroxy-4-(2-methoxy-2-oxoethyl)-3-methyl-2-oxopyrrolidin-3-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-hydroxy-4-(2-methoxy-2-oxoethyl)-3-methyl-2-oxopyrrolidin-3-yl]propanoate
PubChem CID613935
Molecular FormulaC12H19NO6
Molecular Weight273.28 g/mol
Exact Mass273.12
IUPAC Namemethyl 3-[4-hydroxy-4-(2-methoxy-2-oxoethyl)-3-methyl-2-oxopyrrolidin-3-yl]propanoate
SMILESCOC(=O)CCC1(C)C(=O)NCC1(O)CC(=O)OC
InChIInChI=1S/C12H19NO6/c1-11(5-4-8(14)18-2)10(16)13-7-12(11,17)6-9(15)19-3/h17H,4-7H2,1-3H3,(H,13,16)
InChIKeyYIUPJIHKEMEIIN-UHFFFAOYSA-N
XLogP-0.63
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 3-[4-hydroxy-4-(2-methoxy-2-oxoethyl)-3-methyl-2-oxopyrrolidin-3-yl]propanoate with MolForge

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Related Compounds

methyl (2R,3R,4S)-4-butyl-3-hydroxy-3-(2-methoxy-2-oxoethyl)-5-oxopyrrolidine-2-carboxylate
CID 134859578
(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
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
7-Ethyl-7-methyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid
CID 105359874
3-(2-Methoxy-2-methylpropyl)-3-methyl-5-oxopyrrolidine-2-carboxylic acid
CID 105360045

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-hydroxy-4-(2-methoxy-2-oxoethyl)-3-methyl-2-oxopyrrolidin-3-yl]propanoate?
The IUPAC name of methyl 3-[4-hydroxy-4-(2-methoxy-2-oxoethyl)-3-methyl-2-oxopyrrolidin-3-yl]propanoate (CID 613935) is methyl 3-[4-hydroxy-4-(2-methoxy-2-oxoethyl)-3-methyl-2-oxopyrrolidin-3-yl]propanoate.
What is the SMILES notation for methyl 3-[4-hydroxy-4-(2-methoxy-2-oxoethyl)-3-methyl-2-oxopyrrolidin-3-yl]propanoate?
The canonical SMILES for methyl 3-[4-hydroxy-4-(2-methoxy-2-oxoethyl)-3-methyl-2-oxopyrrolidin-3-yl]propanoate is COC(=O)CCC1(C)C(=O)NCC1(O)CC(=O)OC.
What is the InChIKey of methyl 3-[4-hydroxy-4-(2-methoxy-2-oxoethyl)-3-methyl-2-oxopyrrolidin-3-yl]propanoate?
The InChIKey is YIUPJIHKEMEIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO6/c1-11(5-4-8(14)18-2)10(16)13-7-12(11,17)6-9(15)19-3/h17H,4-7H2,1-3H3,(H,13,16).
What are the key properties of methyl 3-[4-hydroxy-4-(2-methoxy-2-oxoethyl)-3-methyl-2-oxopyrrolidin-3-yl]propanoate?
methyl 3-[4-hydroxy-4-(2-methoxy-2-oxoethyl)-3-methyl-2-oxopyrrolidin-3-yl]propanoate has a molecular weight of 273.28 g/mol, XLogP of -0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-hydroxy-4-(2-methoxy-2-oxoethyl)-3-methyl-2-oxopyrrolidin-3-yl]propanoate is sourced from PubChem (CID 613935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).