4-[(3-methylthiomorpholine-4-carbonyl)-propylamino]oxolane-3-carboxylic acid

C14H24N2O4S — CID 66251388

IUPAC4-[(3-methylthiomorpholine-4-carbonyl)-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(C(=O)N1CCSCC1C)C1COCC1C(=O)O
InChIInChI=1S/C14H24N2O4S/c1-3-4-16(12-8-20-7-11(12)13(17)18)14(19)15-5-6-21-9-10(15)2/h10-12H,3-9H2,1-2H3,(H,17,18)
InChIKeyQREWEHNTMJCFFI-UHFFFAOYSA-N
MW316.42 g/mol
LogP1.36
Rot. Bonds4

About 4-[(3-methylthiomorpholine-4-carbonyl)-propylamino]oxolane-3-carboxylic acid

4-[(3-methylthiomorpholine-4-carbonyl)-propylamino]oxolane-3-carboxylic acid (PubChem CID 66251388) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is 4-[(3-methylthiomorpholine-4-carbonyl)-propylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(3-methylthiomorpholine-4-carbonyl)-propylamino]oxolane-3-carboxylic acid
PubChem CID66251388
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC Name4-[(3-methylthiomorpholine-4-carbonyl)-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(C(=O)N1CCSCC1C)C1COCC1C(=O)O
InChIInChI=1S/C14H24N2O4S/c1-3-4-16(12-8-20-7-11(12)13(17)18)14(19)15-5-6-21-9-10(15)2/h10-12H,3-9H2,1-2H3,(H,17,18)
InChIKeyQREWEHNTMJCFFI-UHFFFAOYSA-N
XLogP1.36
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[acetyl(propyl)amino]oxolane-3-carboxylic acid
CID 66257984
4-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-propylamino]oxolane-3-carboxylic acid
CID 115965784
4-[propyl(thiolan-3-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 107297361
4-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-propylamino]oxolane-3-carboxylic acid
CID 106316119
4-[(2-propan-2-ylsulfanylacetyl)-propylamino]oxolane-3-carboxylic acid
CID 66253390
4-[propyl(thiolan-3-yl)amino]oxolane-3-carboxylic acid
CID 66253306
4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-propylamino]oxolane-3-carboxylic acid
CID 66251659
4-[(3,5-dimethylpiperidine-1-carbonyl)-ethylamino]oxolane-3-carboxylic acid
CID 66245344
4-[propyl(thiolan-3-ylmethyl)amino]oxolane-3-carboxylic acid
CID 107133724
4-[propyl(2-propylpentanoyl)amino]oxolane-3-carboxylic acid
CID 82985265
4-[[2-(methylamino)acetyl]-propylamino]oxolane-3-carboxylic acid
CID 66254737
4-[(2-piperazin-1-ylacetyl)-propylamino]oxolane-3-carboxylic acid
CID 66257035

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylthiomorpholine-4-carbonyl)-propylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(3-methylthiomorpholine-4-carbonyl)-propylamino]oxolane-3-carboxylic acid (CID 66251388) is 4-[(3-methylthiomorpholine-4-carbonyl)-propylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(3-methylthiomorpholine-4-carbonyl)-propylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(3-methylthiomorpholine-4-carbonyl)-propylamino]oxolane-3-carboxylic acid is CCCN(C(=O)N1CCSCC1C)C1COCC1C(=O)O.
What is the InChIKey of 4-[(3-methylthiomorpholine-4-carbonyl)-propylamino]oxolane-3-carboxylic acid?
The InChIKey is QREWEHNTMJCFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-3-4-16(12-8-20-7-11(12)13(17)18)14(19)15-5-6-21-9-10(15)2/h10-12H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 4-[(3-methylthiomorpholine-4-carbonyl)-propylamino]oxolane-3-carboxylic acid?
4-[(3-methylthiomorpholine-4-carbonyl)-propylamino]oxolane-3-carboxylic acid has a molecular weight of 316.42 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylthiomorpholine-4-carbonyl)-propylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66251388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).