methyl 3-(2-methylpropylsulfonylamino)propanoate

C8H17NO4S — CID 62733313

IUPACmethyl 3-(2-methylpropylsulfonylamino)propanoate
SMILESCOC(=O)CCNS(=O)(=O)CC(C)C
InChIInChI=1S/C8H17NO4S/c1-7(2)6-14(11,12)9-5-4-8(10)13-3/h7,9H,4-6H2,1-3H3
InChIKeyZPQVRDTZEIOPBU-UHFFFAOYSA-N
MW223.29 g/mol
LogP0.12
Rot. Bonds6

About methyl 3-(2-methylpropylsulfonylamino)propanoate

methyl 3-(2-methylpropylsulfonylamino)propanoate (PubChem CID 62733313) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is methyl 3-(2-methylpropylsulfonylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(2-methylpropylsulfonylamino)propanoate
PubChem CID62733313
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC Namemethyl 3-(2-methylpropylsulfonylamino)propanoate
SMILESCOC(=O)CCNS(=O)(=O)CC(C)C
InChIInChI=1S/C8H17NO4S/c1-7(2)6-14(11,12)9-5-4-8(10)13-3/h7,9H,4-6H2,1-3H3
InChIKeyZPQVRDTZEIOPBU-UHFFFAOYSA-N
XLogP0.12
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(2-ethoxy-2-oxoethyl)sulfonylamino]propanoate
CID 61457245
methyl 3-(cyclopropylmethylsulfonylamino)propanoate
CID 64989493
methyl 4-(chloromethylsulfonylamino)butanoate
CID 63664972
methyl 4-[3-(propan-2-ylamino)propylsulfamoyl]butanoate
CID 54952218
methyl 3-(3-hydroxybutylsulfamoyl)propanoate
CID 64912074
2-[2-(2-methylpropylsulfonylamino)ethoxy]acetic acid
CID 79457640
methyl 3-(propan-2-ylsulfamoyl)propanoate
CID 64590435
methyl 3-(diethylsulfamoylamino)propanoate
CID 60713707
methyl 4-[methyl(2-methylpropylsulfonyl)amino]butanoate
CID 62735185
methyl 2-(2-methylpropylsulfamoyl)acetate
CID 63928470
methyl 3-(2-methylpropoxyamino)propanoate
CID 82715640
methyl 3-(2-propylpentylsulfamoylamino)propanoate
CID 25258362

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-methylpropylsulfonylamino)propanoate?
The IUPAC name of methyl 3-(2-methylpropylsulfonylamino)propanoate (CID 62733313) is methyl 3-(2-methylpropylsulfonylamino)propanoate.
What is the SMILES notation for methyl 3-(2-methylpropylsulfonylamino)propanoate?
The canonical SMILES for methyl 3-(2-methylpropylsulfonylamino)propanoate is COC(=O)CCNS(=O)(=O)CC(C)C.
What is the InChIKey of methyl 3-(2-methylpropylsulfonylamino)propanoate?
The InChIKey is ZPQVRDTZEIOPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S/c1-7(2)6-14(11,12)9-5-4-8(10)13-3/h7,9H,4-6H2,1-3H3.
What are the key properties of methyl 3-(2-methylpropylsulfonylamino)propanoate?
methyl 3-(2-methylpropylsulfonylamino)propanoate has a molecular weight of 223.29 g/mol, XLogP of 0.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-methylpropylsulfonylamino)propanoate is sourced from PubChem (CID 62733313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).