methyl 2-(5,5-dimethylpyrrolidin-3-yl)acetate

C9H17NO2 — CID 131560848

IUPACmethyl 2-(5,5-dimethylpyrrolidin-3-yl)acetate
SMILESCOC(=O)CC1CNC(C)(C)C1
InChIInChI=1S/C9H17NO2/c1-9(2)5-7(6-10-9)4-8(11)12-3/h7,10H,4-6H2,1-3H3
InChIKeyWOESJWFDJOTIPM-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.94
Rot. Bonds2

About methyl 2-(5,5-dimethylpyrrolidin-3-yl)acetate

methyl 2-(5,5-dimethylpyrrolidin-3-yl)acetate (PubChem CID 131560848) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is methyl 2-(5,5-dimethylpyrrolidin-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5,5-dimethylpyrrolidin-3-yl)acetate
PubChem CID131560848
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namemethyl 2-(5,5-dimethylpyrrolidin-3-yl)acetate
SMILESCOC(=O)CC1CNC(C)(C)C1
InChIInChI=1S/C9H17NO2/c1-9(2)5-7(6-10-9)4-8(11)12-3/h7,10H,4-6H2,1-3H3
InChIKeyWOESJWFDJOTIPM-UHFFFAOYSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-(5,5-dimethylpyrrolidin-3-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

methyl 2-(3,3-dimethylcyclobutyl)acetate
CID 15457661
methyl 2-(6-methylpiperidin-3-yl)acetate
CID 142278548
methyl 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)acetate
CID 175435501
methyl 2-(5-methylpyrrolidin-3-yl)acetate;hydrochloride
CID 166270818
methyl 2-cyclopentylacetate;hydrochloride
CID 174509285
methyl 2-piperidin-3-ylacetate;dihydrochloride
CID 141033576
acetic acid;methyl 2-pyrrolidin-3-ylacetate
CID 70009063
methyl 2-(2,2-difluorocyclopropyl)acetate
CID 146229342
(3S)-5,5-dimethylpyrrolidine-3-carboxamide
CID 129142107
methyl 2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetate
CID 141099553
methyl 2-[(3R)-1-oxa-9-azaspiro[5.5]undecan-3-yl]acetate
CID 129359429
methyl 2-spiro[5.5]undecan-3-ylacetate
CID 118404685

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5,5-dimethylpyrrolidin-3-yl)acetate?
The IUPAC name of methyl 2-(5,5-dimethylpyrrolidin-3-yl)acetate (CID 131560848) is methyl 2-(5,5-dimethylpyrrolidin-3-yl)acetate.
What is the SMILES notation for methyl 2-(5,5-dimethylpyrrolidin-3-yl)acetate?
The canonical SMILES for methyl 2-(5,5-dimethylpyrrolidin-3-yl)acetate is COC(=O)CC1CNC(C)(C)C1.
What is the InChIKey of methyl 2-(5,5-dimethylpyrrolidin-3-yl)acetate?
The InChIKey is WOESJWFDJOTIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-9(2)5-7(6-10-9)4-8(11)12-3/h7,10H,4-6H2,1-3H3.
What are the key properties of methyl 2-(5,5-dimethylpyrrolidin-3-yl)acetate?
methyl 2-(5,5-dimethylpyrrolidin-3-yl)acetate has a molecular weight of 171.24 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5,5-dimethylpyrrolidin-3-yl)acetate is sourced from PubChem (CID 131560848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).