3-[(3,4-dimethylpyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid

C12H21NO3 — CID 79183754

IUPAC3-[(3,4-dimethylpyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid
SMILESCC1CN(CC2(C(=O)O)CCOC2)CC1C
InChIInChI=1S/C12H21NO3/c1-9-5-13(6-10(9)2)7-12(11(14)15)3-4-16-8-12/h9-10H,3-8H2,1-2H3,(H,14,15)
InChIKeyHYQDLSDGVQFYOK-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.07
Rot. Bonds3

About 3-[(3,4-dimethylpyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid

3-[(3,4-dimethylpyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid (PubChem CID 79183754) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 3-[(3,4-dimethylpyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(3,4-dimethylpyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid
PubChem CID79183754
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name3-[(3,4-dimethylpyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid
SMILESCC1CN(CC2(C(=O)O)CCOC2)CC1C
InChIInChI=1S/C12H21NO3/c1-9-5-13(6-10(9)2)7-12(11(14)15)3-4-16-8-12/h9-10H,3-8H2,1-2H3,(H,14,15)
InChIKeyHYQDLSDGVQFYOK-UHFFFAOYSA-N
XLogP1.07
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(3,4-dimethylpyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid 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

rac-(3aR,6aR)-5-methyl-hexahydro-1H-furo(3,4-c)pyrrole-3a-carboxylic acid
CID 146115814
3-[[Propyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid
CID 62270137
3-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid
CID 62271590
3-[[Methyl(3,3,3-trifluoropropyl)amino]methyl]oxolane-3-carboxylic acid
CID 65531849
3-[(3-Fluoropyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid
CID 164659342
1-(3-Ethoxypropyl)-3-(hydroxymethyl)pyrrolidine-3-carboxylic acid
CID 147675937
3-[(1-Ethylpyrrolidin-3-yl)methoxy]propanoic acid
CID 169177349
3-[[(3R)-1-methylpyrrolidin-3-yl]methoxy]propanoic acid
CID 169177352
3-[[(3R,4R)-1,4-dimethylpyrrolidin-3-yl]methoxy]propanoic acid
CID 170367992
3-[[(3S)-1-methylpyrrolidin-3-yl]methoxy]propanoic acid
CID 174111332
3-[[(3S)-1-propylpyrrolidin-3-yl]methoxy]propanoic acid
CID 174164537
3-[[2-(Dimethylamino)ethyl-(2-methylpropyl)amino]methyl]oxolane-3-carboxylic acid
CID 55055458

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylpyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(3,4-dimethylpyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid (CID 79183754) is 3-[(3,4-dimethylpyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(3,4-dimethylpyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(3,4-dimethylpyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid is CC1CN(CC2(C(=O)O)CCOC2)CC1C.
What is the InChIKey of 3-[(3,4-dimethylpyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid?
The InChIKey is HYQDLSDGVQFYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-9-5-13(6-10(9)2)7-12(11(14)15)3-4-16-8-12/h9-10H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 3-[(3,4-dimethylpyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid?
3-[(3,4-dimethylpyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid has a molecular weight of 227.30 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethylpyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid is sourced from PubChem (CID 79183754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).