methyl 2-(3,5-dimethyl-2-oxopyrrolidin-1-yl)acetate

C9H15NO3 — CID 13150911

IUPACmethyl 2-(3,5-dimethyl-2-oxopyrrolidin-1-yl)acetate
SMILESCOC(=O)CN1C(=O)C(C)CC1C
InChIInChI=1S/C9H15NO3/c1-6-4-7(2)10(9(6)12)5-8(11)13-3/h6-7H,4-5H2,1-3H3
InChIKeyNFEVAVUZWQEORA-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.42
Rot. Bonds2

About methyl 2-(3,5-dimethyl-2-oxopyrrolidin-1-yl)acetate

methyl 2-(3,5-dimethyl-2-oxopyrrolidin-1-yl)acetate (PubChem CID 13150911) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is methyl 2-(3,5-dimethyl-2-oxopyrrolidin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3,5-dimethyl-2-oxopyrrolidin-1-yl)acetate
PubChem CID13150911
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Namemethyl 2-(3,5-dimethyl-2-oxopyrrolidin-1-yl)acetate
SMILESCOC(=O)CN1C(=O)C(C)CC1C
InChIInChI=1S/C9H15NO3/c1-6-4-7(2)10(9(6)12)5-8(11)13-3/h6-7H,4-5H2,1-3H3
InChIKeyNFEVAVUZWQEORA-UHFFFAOYSA-N
XLogP0.42
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-(3,5-dimethyl-2-oxopyrrolidin-1-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(2-Oxopyrrolidin-1-yl)butanoic acid methyl ester
CID 9834145
Methyl isobutyryl-L-prolinate
CID 15283061
methyl (2S)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylate
CID 10584701
methyl (2R)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate
CID 93039600
methyl (2R)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylate
CID 167396040
Rac-alpha-ethyl-2-oxo-pyrrolidineacetic acid methyl ester
CID 21134477
methyl (2S,4S)-1-acetyl-4-methylpyrrolidine-2-carboxylate
CID 58062513
methyl (2S,4R)-1-acetyl-4-methylpyrrolidine-2-carboxylate
CID 58062574
(s)-Methyl 2-(3-butyl-2-oxopyrrolidin-1-yl)acetate
CID 58813108
methyl (2S)-1-acetyl-2-methylpyrrolidine-2-carboxylate
CID 124166677
Methyl 2-[cyclobutanecarbonyl(propan-2-yl)amino]acetate
CID 60766753
Methyl 2-methyl-5-oxopyrrolidine-1-acetate
CID 13150904

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,5-dimethyl-2-oxopyrrolidin-1-yl)acetate?
The IUPAC name of methyl 2-(3,5-dimethyl-2-oxopyrrolidin-1-yl)acetate (CID 13150911) is methyl 2-(3,5-dimethyl-2-oxopyrrolidin-1-yl)acetate.
What is the SMILES notation for methyl 2-(3,5-dimethyl-2-oxopyrrolidin-1-yl)acetate?
The canonical SMILES for methyl 2-(3,5-dimethyl-2-oxopyrrolidin-1-yl)acetate is COC(=O)CN1C(=O)C(C)CC1C.
What is the InChIKey of methyl 2-(3,5-dimethyl-2-oxopyrrolidin-1-yl)acetate?
The InChIKey is NFEVAVUZWQEORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-6-4-7(2)10(9(6)12)5-8(11)13-3/h6-7H,4-5H2,1-3H3.
What are the key properties of methyl 2-(3,5-dimethyl-2-oxopyrrolidin-1-yl)acetate?
methyl 2-(3,5-dimethyl-2-oxopyrrolidin-1-yl)acetate has a molecular weight of 185.22 g/mol, XLogP of 0.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,5-dimethyl-2-oxopyrrolidin-1-yl)acetate is sourced from PubChem (CID 13150911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).