methyl 2-hydroxy-3-(2-methylpropylsulfamoylamino)propanoate

C8H18N2O5S — CID 103491359

IUPACmethyl 2-hydroxy-3-(2-methylpropylsulfamoylamino)propanoate
SMILESCOC(=O)C(O)CNS(=O)(=O)NCC(C)C
InChIInChI=1S/C8H18N2O5S/c1-6(2)4-9-16(13,14)10-5-7(11)8(12)15-3/h6-7,9-11H,4-5H2,1-3H3
InChIKeyJZQYQKUACJKDSN-UHFFFAOYSA-N
MW254.31 g/mol
LogP-1.40
Rot. Bonds7

About methyl 2-hydroxy-3-(2-methylpropylsulfamoylamino)propanoate

methyl 2-hydroxy-3-(2-methylpropylsulfamoylamino)propanoate (PubChem CID 103491359) has the molecular formula C8H18N2O5S and a molecular weight of 254.31 g/mol. Its IUPAC name is methyl 2-hydroxy-3-(2-methylpropylsulfamoylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-(2-methylpropylsulfamoylamino)propanoate
PubChem CID103491359
Molecular FormulaC8H18N2O5S
Molecular Weight254.31 g/mol
Exact Mass254.09
IUPAC Namemethyl 2-hydroxy-3-(2-methylpropylsulfamoylamino)propanoate
SMILESCOC(=O)C(O)CNS(=O)(=O)NCC(C)C
InChIInChI=1S/C8H18N2O5S/c1-6(2)4-9-16(13,14)10-5-7(11)8(12)15-3/h6-7,9-11H,4-5H2,1-3H3
InChIKeyJZQYQKUACJKDSN-UHFFFAOYSA-N
XLogP-1.40
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 5-1.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 2-hydroxy-3-(2,2,2-trifluoroethylsulfamoylamino)propanoate
CID 103491388
3-Amino-2-hydroxypropanoic acid;methyl 3-amino-2-hydroxypropanoate
CID 156849081
(2S)-3-amino-2-hydroxypropanoic acid;methanol;methyl (2S)-3-amino-2-hydroxypropanoate;hydrochloride
CID 158363914
Methyl 3-[(2-hydroxy-3-methoxypropyl)sulfamoyl-methylamino]propanoate
CID 65685979
3-[(2-Hydroxy-3-methoxypropyl)sulfamoyl-methylamino]propanoic acid
CID 65685980
2-Propoxyethyl 3-amino-2-hydroxypropanoate
CID 66165195
2-Propan-2-yloxyethyl 3-amino-2-hydroxypropanoate
CID 66165395
3-Methylbutan-2-yl 3-amino-2-hydroxypropanoate
CID 80390813
1-Ethoxypropan-2-yl 3-amino-2-hydroxypropanoate
CID 103489047
Methyl 2-hydroxy-3-(propylsulfamoylamino)propanoate
CID 103491271
Methyl 3-(ethoxycarbonylsulfamoylamino)-2-hydroxypropanoate
CID 103491285
Methyl 2-hydroxy-3-(propan-2-yloxycarbonylsulfamoylamino)propanoate
CID 103491338

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-(2-methylpropylsulfamoylamino)propanoate?
The IUPAC name of methyl 2-hydroxy-3-(2-methylpropylsulfamoylamino)propanoate (CID 103491359) is methyl 2-hydroxy-3-(2-methylpropylsulfamoylamino)propanoate.
What is the SMILES notation for methyl 2-hydroxy-3-(2-methylpropylsulfamoylamino)propanoate?
The canonical SMILES for methyl 2-hydroxy-3-(2-methylpropylsulfamoylamino)propanoate is COC(=O)C(O)CNS(=O)(=O)NCC(C)C.
What is the InChIKey of methyl 2-hydroxy-3-(2-methylpropylsulfamoylamino)propanoate?
The InChIKey is JZQYQKUACJKDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O5S/c1-6(2)4-9-16(13,14)10-5-7(11)8(12)15-3/h6-7,9-11H,4-5H2,1-3H3.
What are the key properties of methyl 2-hydroxy-3-(2-methylpropylsulfamoylamino)propanoate?
methyl 2-hydroxy-3-(2-methylpropylsulfamoylamino)propanoate has a molecular weight of 254.31 g/mol, XLogP of -1.40, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-(2-methylpropylsulfamoylamino)propanoate is sourced from PubChem (CID 103491359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).