methyl 3-[[(2R)-2-hydroxypropyl]sulfamoyl-methylamino]propanoate

C8H18N2O5S — CID 103883834

IUPACmethyl 3-[[(2R)-2-hydroxypropyl]sulfamoyl-methylamino]propanoate
SMILESCOC(=O)CCN(C)S(=O)(=O)NC[C@@H](C)O
InChIInChI=1S/C8H18N2O5S/c1-7(11)6-9-16(13,14)10(2)5-4-8(12)15-3/h7,9,11H,4-6H2,1-3H3/t7-/m1/s1
InChIKeySVZTYKPEVVXMEO-SSDOTTSWSA-N
MW254.31 g/mol
LogP-1.30
Rot. Bonds7

About methyl 3-[[(2R)-2-hydroxypropyl]sulfamoyl-methylamino]propanoate

methyl 3-[[(2R)-2-hydroxypropyl]sulfamoyl-methylamino]propanoate (PubChem CID 103883834) has the molecular formula C8H18N2O5S and a molecular weight of 254.31 g/mol. Its IUPAC name is methyl 3-[[(2R)-2-hydroxypropyl]sulfamoyl-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[(2R)-2-hydroxypropyl]sulfamoyl-methylamino]propanoate
PubChem CID103883834
Molecular FormulaC8H18N2O5S
Molecular Weight254.31 g/mol
Exact Mass254.09
IUPAC Namemethyl 3-[[(2R)-2-hydroxypropyl]sulfamoyl-methylamino]propanoate
SMILESCOC(=O)CCN(C)S(=O)(=O)NC[C@@H](C)O
InChIInChI=1S/C8H18N2O5S/c1-7(11)6-9-16(13,14)10(2)5-4-8(12)15-3/h7,9,11H,4-6H2,1-3H3/t7-/m1/s1
InChIKeySVZTYKPEVVXMEO-SSDOTTSWSA-N
XLogP-1.30
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 5-1.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(2R)-2-hydroxypropyl]sulfamoyl-methylamino]propanoate?
The IUPAC name of methyl 3-[[(2R)-2-hydroxypropyl]sulfamoyl-methylamino]propanoate (CID 103883834) is methyl 3-[[(2R)-2-hydroxypropyl]sulfamoyl-methylamino]propanoate.
What is the SMILES notation for methyl 3-[[(2R)-2-hydroxypropyl]sulfamoyl-methylamino]propanoate?
The canonical SMILES for methyl 3-[[(2R)-2-hydroxypropyl]sulfamoyl-methylamino]propanoate is COC(=O)CCN(C)S(=O)(=O)NC[C@@H](C)O.
What is the InChIKey of methyl 3-[[(2R)-2-hydroxypropyl]sulfamoyl-methylamino]propanoate?
The InChIKey is SVZTYKPEVVXMEO-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H18N2O5S/c1-7(11)6-9-16(13,14)10(2)5-4-8(12)15-3/h7,9,11H,4-6H2,1-3H3/t7-/m1/s1.
What are the key properties of methyl 3-[[(2R)-2-hydroxypropyl]sulfamoyl-methylamino]propanoate?
methyl 3-[[(2R)-2-hydroxypropyl]sulfamoyl-methylamino]propanoate has a molecular weight of 254.31 g/mol, XLogP of -1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(2R)-2-hydroxypropyl]sulfamoyl-methylamino]propanoate is sourced from PubChem (CID 103883834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).