methyl 3-methyl-2-pyrrolidin-1-ylbutanoate

C10H19NO2 — CID 43866498

IUPACmethyl 3-methyl-2-pyrrolidin-1-ylbutanoate
SMILESCOC(=O)C(C(C)C)N1CCCC1
InChIInChI=1S/C10H19NO2/c1-8(2)9(10(12)13-3)11-6-4-5-7-11/h8-9H,4-7H2,1-3H3
InChIKeyYGDWQBWHTKXLGU-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.28
Rot. Bonds3

About methyl 3-methyl-2-pyrrolidin-1-ylbutanoate

methyl 3-methyl-2-pyrrolidin-1-ylbutanoate (PubChem CID 43866498) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is methyl 3-methyl-2-pyrrolidin-1-ylbutanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-pyrrolidin-1-ylbutanoate
PubChem CID43866498
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namemethyl 3-methyl-2-pyrrolidin-1-ylbutanoate
SMILESCOC(=O)C(C(C)C)N1CCCC1
InChIInChI=1S/C10H19NO2/c1-8(2)9(10(12)13-3)11-6-4-5-7-11/h8-9H,4-7H2,1-3H3
InChIKeyYGDWQBWHTKXLGU-UHFFFAOYSA-N
XLogP1.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 3-methyl-2-pyrrolidin-1-ylbutanoate 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 (2R)-3-methyl-2-morpholin-4-ylbutanoate
CID 30031078
methyl 2,2-dipyrrolidin-1-ylacetate
CID 132553611
(2S)-3-methyl-2-piperidin-1-ylbutanoic acid
CID 42304661
(2S)-2-(azepan-1-yl)-3-methylbutanoic acid
CID 42309998
tert-butyl 4-(1-methoxy-3-methyl-1-oxobutan-2-yl)piperazine-1-carboxylate
CID 102205627
methyl 2-methoxy-2-piperidin-1-ylacetate
CID 57327649
N-tert-butyl-3-methyl-2-pyrrolidin-1-ylbutanamide
CID 167229303
methyl 2-(1,4-diazepan-1-yl)-3-methylpentanoate
CID 61319155
3-amino-2-piperidin-1-ylbutanoic acid
CID 67056291
methyl (2R)-3-amino-2-piperidin-1-ylpropanoate
CID 86664944
3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]-2-piperidin-1-ylbutan-1-one
CID 119545230
methyl 1-(1-methoxy-3-methyl-1-oxobutan-2-yl)azetidine-2-carboxylate
CID 112581325

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-pyrrolidin-1-ylbutanoate?
The IUPAC name of methyl 3-methyl-2-pyrrolidin-1-ylbutanoate (CID 43866498) is methyl 3-methyl-2-pyrrolidin-1-ylbutanoate.
What is the SMILES notation for methyl 3-methyl-2-pyrrolidin-1-ylbutanoate?
The canonical SMILES for methyl 3-methyl-2-pyrrolidin-1-ylbutanoate is COC(=O)C(C(C)C)N1CCCC1.
What is the InChIKey of methyl 3-methyl-2-pyrrolidin-1-ylbutanoate?
The InChIKey is YGDWQBWHTKXLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8(2)9(10(12)13-3)11-6-4-5-7-11/h8-9H,4-7H2,1-3H3.
What are the key properties of methyl 3-methyl-2-pyrrolidin-1-ylbutanoate?
methyl 3-methyl-2-pyrrolidin-1-ylbutanoate has a molecular weight of 185.27 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-pyrrolidin-1-ylbutanoate is sourced from PubChem (CID 43866498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).