4-[methyl(3-methylsulfonylpropyl)amino]oxolane-3-carboxylic acid

C10H19NO5S — CID 66236203

IUPAC4-[methyl(3-methylsulfonylpropyl)amino]oxolane-3-carboxylic acid
SMILESCN(CCCS(C)(=O)=O)C1COCC1C(=O)O
InChIInChI=1S/C10H19NO5S/c1-11(4-3-5-17(2,14)15)9-7-16-6-8(9)10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyXNZYSEROLFSXIZ-UHFFFAOYSA-N
MW265.33 g/mol
LogP-0.55
Rot. Bonds6

About 4-[methyl(3-methylsulfonylpropyl)amino]oxolane-3-carboxylic acid

4-[methyl(3-methylsulfonylpropyl)amino]oxolane-3-carboxylic acid (PubChem CID 66236203) has the molecular formula C10H19NO5S and a molecular weight of 265.33 g/mol. Its IUPAC name is 4-[methyl(3-methylsulfonylpropyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[methyl(3-methylsulfonylpropyl)amino]oxolane-3-carboxylic acid
PubChem CID66236203
Molecular FormulaC10H19NO5S
Molecular Weight265.33 g/mol
Exact Mass265.10
IUPAC Name4-[methyl(3-methylsulfonylpropyl)amino]oxolane-3-carboxylic acid
SMILESCN(CCCS(C)(=O)=O)C1COCC1C(=O)O
InChIInChI=1S/C10H19NO5S/c1-11(4-3-5-17(2,14)15)9-7-16-6-8(9)10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyXNZYSEROLFSXIZ-UHFFFAOYSA-N
XLogP-0.55
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[methyl(3-methylsulfonylpropyl)amino]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

4-[methyl(3-phenylpropyl)amino]oxolane-3-carboxylic acid
CID 66235785
4-[methyl(2-propoxyethyl)amino]oxolane-3-carboxylic acid
CID 106454746
4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]oxolane-3-carboxylic acid
CID 66267848
4-[[butyl(methyl)sulfamoyl]-methylamino]oxolane-3-carboxylic acid
CID 66236778
4-[[3-(carbamoylamino)-3-oxopropyl]-methylamino]oxolane-3-carboxylic acid
CID 66236826
4-[3-chloroprop-2-enyl(methyl)amino]oxolane-3-carboxylic acid
CID 77135519
4-[propyl(propylsulfonyl)amino]oxolane-3-carboxylic acid
CID 66253214
4-[3-methoxypropylsulfonyl(methyl)amino]oxolane-3-carboxylic acid
CID 66236776
4-[methyl-[(4-methylcyclohexyl)methyl]amino]oxolane-3-carboxylic acid
CID 66266491
4-[hexanoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66236749
4-[methyl(oxolan-3-ylmethyl)amino]oxolane-3-carboxylic acid
CID 66238015
4-[(1-hydroxycyclopentyl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66237204

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(3-methylsulfonylpropyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[methyl(3-methylsulfonylpropyl)amino]oxolane-3-carboxylic acid (CID 66236203) is 4-[methyl(3-methylsulfonylpropyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[methyl(3-methylsulfonylpropyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[methyl(3-methylsulfonylpropyl)amino]oxolane-3-carboxylic acid is CN(CCCS(C)(=O)=O)C1COCC1C(=O)O.
What is the InChIKey of 4-[methyl(3-methylsulfonylpropyl)amino]oxolane-3-carboxylic acid?
The InChIKey is XNZYSEROLFSXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5S/c1-11(4-3-5-17(2,14)15)9-7-16-6-8(9)10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 4-[methyl(3-methylsulfonylpropyl)amino]oxolane-3-carboxylic acid?
4-[methyl(3-methylsulfonylpropyl)amino]oxolane-3-carboxylic acid has a molecular weight of 265.33 g/mol, XLogP of -0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(3-methylsulfonylpropyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66236203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).