methyl 3-(2-methyl-5-oxopyrrolidin-2-yl)propanoate

C9H15NO3 — CID 14433785

IUPACmethyl 3-(2-methyl-5-oxopyrrolidin-2-yl)propanoate
SMILESCOC(=O)CCC1(C)CCC(=O)N1
InChIInChI=1S/C9H15NO3/c1-9(5-3-7(11)10-9)6-4-8(12)13-2/h3-6H2,1-2H3,(H,10,11)
InChIKeyRHMMGTKQWHTOMG-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.61
Rot. Bonds3

About methyl 3-(2-methyl-5-oxopyrrolidin-2-yl)propanoate

methyl 3-(2-methyl-5-oxopyrrolidin-2-yl)propanoate (PubChem CID 14433785) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is methyl 3-(2-methyl-5-oxopyrrolidin-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(2-methyl-5-oxopyrrolidin-2-yl)propanoate
PubChem CID14433785
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Namemethyl 3-(2-methyl-5-oxopyrrolidin-2-yl)propanoate
SMILESCOC(=O)CCC1(C)CCC(=O)N1
InChIInChI=1S/C9H15NO3/c1-9(5-3-7(11)10-9)6-4-8(12)13-2/h3-6H2,1-2H3,(H,10,11)
InChIKeyRHMMGTKQWHTOMG-UHFFFAOYSA-N
XLogP0.61
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-Methyl-5-oxopyrrolidin-2-yl)propanoic acid
CID 13011452
2,2-Pyrrolidinedipropanoic acid, 5-oxo-, dimethyl ester
CID 11253889
Methyl 5-oxo-2-(trifluoromethyl)-2-pyrrolidinepropionate
CID 15288970
Methyl 2-(3-hydroxypropyl)-5-oxo-2-pyrrolidinepropanoate
CID 588463
3,3'-(5-Oxopyrrolidine-2,2-diyl)dipropanoic acid
CID 13306702
Diethyl 3,3'-(5-oxopyrrolidine-2,2-diyl)dipropanoate
CID 13306703
5-Oxo-2,2-pyrrolidinedipropanoic acid monomethyl ester
CID 13646943
Tert-butyl 3-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-5-oxopyrrolidin-2-yl]propanoate
CID 15256254
Methyl 3-[2-(2-methoxy-2-oxoethyl)-5-oxopyrrolidin-2-yl]propanoate
CID 20614729
5-Methyl-5-(3-methylperoxypropyl)pyrrolidin-2-one
CID 20713605
5-Carboethoxyethyl-5-carboxymethyl-2-pyrrolidinone
CID 53718042
5-Carboethoxyethyl-5-carboethoxymethyl-2-pyrrolidinone
CID 54116216

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-methyl-5-oxopyrrolidin-2-yl)propanoate?
The IUPAC name of methyl 3-(2-methyl-5-oxopyrrolidin-2-yl)propanoate (CID 14433785) is methyl 3-(2-methyl-5-oxopyrrolidin-2-yl)propanoate.
What is the SMILES notation for methyl 3-(2-methyl-5-oxopyrrolidin-2-yl)propanoate?
The canonical SMILES for methyl 3-(2-methyl-5-oxopyrrolidin-2-yl)propanoate is COC(=O)CCC1(C)CCC(=O)N1.
What is the InChIKey of methyl 3-(2-methyl-5-oxopyrrolidin-2-yl)propanoate?
The InChIKey is RHMMGTKQWHTOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-9(5-3-7(11)10-9)6-4-8(12)13-2/h3-6H2,1-2H3,(H,10,11).
What are the key properties of methyl 3-(2-methyl-5-oxopyrrolidin-2-yl)propanoate?
methyl 3-(2-methyl-5-oxopyrrolidin-2-yl)propanoate has a molecular weight of 185.22 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-methyl-5-oxopyrrolidin-2-yl)propanoate is sourced from PubChem (CID 14433785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).