3-methyl-4-(2-methylpropylsulfamoylamino)oxolane-3-carboxylic acid

C10H20N2O5S — CID 114814704

IUPAC3-methyl-4-(2-methylpropylsulfamoylamino)oxolane-3-carboxylic acid
SMILESCC(C)CNS(=O)(=O)NC1COCC1(C)C(=O)O
InChIInChI=1S/C10H20N2O5S/c1-7(2)4-11-18(15,16)12-8-5-17-6-10(8,3)9(13)14/h7-8,11-12H,4-6H2,1-3H3,(H,13,14)
InChIKeyJMYFARIHTSUZGR-UHFFFAOYSA-N
MW280.35 g/mol
LogP-0.44
Rot. Bonds6

About 3-methyl-4-(2-methylpropylsulfamoylamino)oxolane-3-carboxylic acid

3-methyl-4-(2-methylpropylsulfamoylamino)oxolane-3-carboxylic acid (PubChem CID 114814704) has the molecular formula C10H20N2O5S and a molecular weight of 280.35 g/mol. Its IUPAC name is 3-methyl-4-(2-methylpropylsulfamoylamino)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-4-(2-methylpropylsulfamoylamino)oxolane-3-carboxylic acid
PubChem CID114814704
Molecular FormulaC10H20N2O5S
Molecular Weight280.35 g/mol
Exact Mass280.11
IUPAC Name3-methyl-4-(2-methylpropylsulfamoylamino)oxolane-3-carboxylic acid
SMILESCC(C)CNS(=O)(=O)NC1COCC1(C)C(=O)O
InChIInChI=1S/C10H20N2O5S/c1-7(2)4-11-18(15,16)12-8-5-17-6-10(8,3)9(13)14/h7-8,11-12H,4-6H2,1-3H3,(H,13,14)
InChIKeyJMYFARIHTSUZGR-UHFFFAOYSA-N
XLogP-0.44
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methanesulfonamido)-3-methyloxolane-3-carboxylic acid
CID 66249115
4-(1-cyanoethylsulfonylamino)-3-methyloxolane-3-carboxylic acid
CID 66248916
4-[[(2R)-2-amino-4-methylpentanoyl]amino]-3-methyloxolane-3-carboxylic acid
CID 104903670
4-[(3-amino-2-methylpropanoyl)amino]-3-methyloxolane-3-carboxylic acid
CID 66249531
3-methyl-4-[2-(propylsulfonylamino)propanoylamino]oxolane-3-carboxylic acid
CID 66254517
3-methyl-4-[(4-methylphenyl)sulfonylamino]oxolane-3-carboxylic acid
CID 66248133
4-acetamido-3-methyloxolane-3-carboxylic acid
CID 66256805
4-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-3-methyloxolane-3-carboxylic acid
CID 80577391
4-[(2,4-diamino-4-oxobutanoyl)amino]-3-methyloxolane-3-carboxylic acid
CID 66248351
4-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-methyloxolane-3-carboxylic acid
CID 66250933
4-[(2,5-dibromophenyl)sulfonylamino]-3-methyloxolane-3-carboxylic acid
CID 66249504
4-(butanoylamino)-3-methyloxolane-3-carboxylic acid
CID 66255086

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2-methylpropylsulfamoylamino)oxolane-3-carboxylic acid?
The IUPAC name of 3-methyl-4-(2-methylpropylsulfamoylamino)oxolane-3-carboxylic acid (CID 114814704) is 3-methyl-4-(2-methylpropylsulfamoylamino)oxolane-3-carboxylic acid.
What is the SMILES notation for 3-methyl-4-(2-methylpropylsulfamoylamino)oxolane-3-carboxylic acid?
The canonical SMILES for 3-methyl-4-(2-methylpropylsulfamoylamino)oxolane-3-carboxylic acid is CC(C)CNS(=O)(=O)NC1COCC1(C)C(=O)O.
What is the InChIKey of 3-methyl-4-(2-methylpropylsulfamoylamino)oxolane-3-carboxylic acid?
The InChIKey is JMYFARIHTSUZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O5S/c1-7(2)4-11-18(15,16)12-8-5-17-6-10(8,3)9(13)14/h7-8,11-12H,4-6H2,1-3H3,(H,13,14).
What are the key properties of 3-methyl-4-(2-methylpropylsulfamoylamino)oxolane-3-carboxylic acid?
3-methyl-4-(2-methylpropylsulfamoylamino)oxolane-3-carboxylic acid has a molecular weight of 280.35 g/mol, XLogP of -0.44, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2-methylpropylsulfamoylamino)oxolane-3-carboxylic acid is sourced from PubChem (CID 114814704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).