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

C8H18N2O5S — CID 103883809

IUPACmethyl 3-[[(2S)-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-/m0/s1
InChIKeySVZTYKPEVVXMEO-ZETCQYMHSA-N
MW254.31 g/mol
LogP-1.30
Rot. Bonds7

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

methyl 3-[[(2S)-2-hydroxypropyl]sulfamoyl-methylamino]propanoate (PubChem CID 103883809) has the molecular formula C8H18N2O5S and a molecular weight of 254.31 g/mol. Its IUPAC name is methyl 3-[[(2S)-2-hydroxypropyl]sulfamoyl-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[(2S)-2-hydroxypropyl]sulfamoyl-methylamino]propanoate
PubChem CID103883809
Molecular FormulaC8H18N2O5S
Molecular Weight254.31 g/mol
Exact Mass254.09
IUPAC Namemethyl 3-[[(2S)-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-/m0/s1
InChIKeySVZTYKPEVVXMEO-ZETCQYMHSA-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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Related Compounds

Methyl 3-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl-methylamino]propanoate
CID 103836847
3-[Methyl-[(3,3,3-trifluoro-2-hydroxypropyl)sulfamoyl]amino]propanoic acid
CID 105642806
3-[(3,3-Difluoro-2-hydroxypropyl)sulfamoyl-methylamino]propanoic acid
CID 105642961
Methyl 3-[methyl-[(3,3,3-trifluoro-2-hydroxypropyl)sulfamoyl]amino]propanoate
CID 113317193
(2R)-1-aminopropan-2-ol;ethyl 3-[[(2R)-2-hydroxypropyl]amino]propanoate
CID 160013785
Methyl 3-[3-ethoxypropylsulfamoyl(methyl)amino]propanoate
CID 65683907
3-[3-Ethoxypropylsulfamoyl(methyl)amino]propanoic acid
CID 65683908
3-[1-Hydroxybutan-2-ylsulfamoyl(methyl)amino]propanoic acid
CID 65683937
Methyl 3-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl-methylamino]propanoate
CID 65683938
3-[(1-Hydroxy-2-methylpropan-2-yl)sulfamoyl-methylamino]propanoic acid
CID 65683939
3-[4-Methoxybutan-2-ylsulfamoyl(methyl)amino]propanoic acid
CID 65684041
Methyl 3-[2-hydroxypropylsulfamoyl(methyl)amino]propanoate
CID 65684133

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(2S)-2-hydroxypropyl]sulfamoyl-methylamino]propanoate?
The IUPAC name of methyl 3-[[(2S)-2-hydroxypropyl]sulfamoyl-methylamino]propanoate (CID 103883809) is methyl 3-[[(2S)-2-hydroxypropyl]sulfamoyl-methylamino]propanoate.
What is the SMILES notation for methyl 3-[[(2S)-2-hydroxypropyl]sulfamoyl-methylamino]propanoate?
The canonical SMILES for methyl 3-[[(2S)-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-[[(2S)-2-hydroxypropyl]sulfamoyl-methylamino]propanoate?
The InChIKey is SVZTYKPEVVXMEO-ZETCQYMHSA-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-/m0/s1.
What are the key properties of methyl 3-[[(2S)-2-hydroxypropyl]sulfamoyl-methylamino]propanoate?
methyl 3-[[(2S)-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-[[(2S)-2-hydroxypropyl]sulfamoyl-methylamino]propanoate is sourced from PubChem (CID 103883809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).