methyl 3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanoate

C10H19NO3 — CID 103356687

IUPACmethyl 3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanoate
SMILESCOC(=O)CC(C)N1CCC(C)(O)C1
InChIInChI=1S/C10H19NO3/c1-8(6-9(12)14-3)11-5-4-10(2,13)7-11/h8,13H,4-7H2,1-3H3
InChIKeySKTDLSIIMFMKPC-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.39
Rot. Bonds3

About methyl 3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanoate

methyl 3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanoate (PubChem CID 103356687) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl 3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanoate.

Molecular Properties

Compound Namemethyl 3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanoate
PubChem CID103356687
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl 3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanoate
SMILESCOC(=O)CC(C)N1CCC(C)(O)C1
InChIInChI=1S/C10H19NO3/c1-8(6-9(12)14-3)11-5-4-10(2,13)7-11/h8,13H,4-7H2,1-3H3
InChIKeySKTDLSIIMFMKPC-UHFFFAOYSA-N
XLogP0.39
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanoate?
The IUPAC name of methyl 3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanoate (CID 103356687) is methyl 3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanoate.
What is the SMILES notation for methyl 3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanoate?
The canonical SMILES for methyl 3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanoate is COC(=O)CC(C)N1CCC(C)(O)C1.
What is the InChIKey of methyl 3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanoate?
The InChIKey is SKTDLSIIMFMKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-8(6-9(12)14-3)11-5-4-10(2,13)7-11/h8,13H,4-7H2,1-3H3.
What are the key properties of methyl 3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanoate?
methyl 3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanoate has a molecular weight of 201.27 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanoate is sourced from PubChem (CID 103356687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).