4-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]oxolane-3-carboxylic acid

C11H20N2O4S — CID 66241570

IUPAC4-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]oxolane-3-carboxylic acid
SMILESCSCC(C)CNC(=O)NC1COCC1C(=O)O
InChIInChI=1S/C11H20N2O4S/c1-7(6-18-2)3-12-11(16)13-9-5-17-4-8(9)10(14)15/h7-9H,3-6H2,1-2H3,(H,14,15)(H2,12,13,16)
InChIKeyOSLHUECOCRFYBG-UHFFFAOYSA-N
MW276.36 g/mol
LogP0.38
Rot. Bonds6

About 4-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]oxolane-3-carboxylic acid

4-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]oxolane-3-carboxylic acid (PubChem CID 66241570) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is 4-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]oxolane-3-carboxylic acid
PubChem CID66241570
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC Name4-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]oxolane-3-carboxylic acid
SMILESCSCC(C)CNC(=O)NC1COCC1C(=O)O
InChIInChI=1S/C11H20N2O4S/c1-7(6-18-2)3-12-11(16)13-9-5-17-4-8(9)10(14)15/h7-9H,3-6H2,1-2H3,(H,14,15)(H2,12,13,16)
InChIKeyOSLHUECOCRFYBG-UHFFFAOYSA-N
XLogP0.38
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]oxolane-3-carboxylic acid (CID 66241570) is 4-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]oxolane-3-carboxylic acid is CSCC(C)CNC(=O)NC1COCC1C(=O)O.
What is the InChIKey of 4-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]oxolane-3-carboxylic acid?
The InChIKey is OSLHUECOCRFYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S/c1-7(6-18-2)3-12-11(16)13-9-5-17-4-8(9)10(14)15/h7-9H,3-6H2,1-2H3,(H,14,15)(H2,12,13,16).
What are the key properties of 4-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]oxolane-3-carboxylic acid?
4-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]oxolane-3-carboxylic acid has a molecular weight of 276.36 g/mol, XLogP of 0.38, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66241570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).