methyl 2-hydroxy-3-(propan-2-yloxycarbonylsulfamoylamino)propanoate

C8H16N2O7S — CID 103491338

IUPACmethyl 2-hydroxy-3-(propan-2-yloxycarbonylsulfamoylamino)propanoate
SMILESCOC(=O)C(O)CNS(=O)(=O)NC(=O)OC(C)C
InChIInChI=1S/C8H16N2O7S/c1-5(2)17-8(13)10-18(14,15)9-4-6(11)7(12)16-3/h5-6,9,11H,4H2,1-3H3,(H,10,13)
InChIKeyXORPLWGRJKZLDY-UHFFFAOYSA-N
MW284.29 g/mol
LogP-1.51
Rot. Bonds6

About methyl 2-hydroxy-3-(propan-2-yloxycarbonylsulfamoylamino)propanoate

methyl 2-hydroxy-3-(propan-2-yloxycarbonylsulfamoylamino)propanoate (PubChem CID 103491338) has the molecular formula C8H16N2O7S and a molecular weight of 284.29 g/mol. Its IUPAC name is methyl 2-hydroxy-3-(propan-2-yloxycarbonylsulfamoylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-(propan-2-yloxycarbonylsulfamoylamino)propanoate
PubChem CID103491338
Molecular FormulaC8H16N2O7S
Molecular Weight284.29 g/mol
Exact Mass284.07
IUPAC Namemethyl 2-hydroxy-3-(propan-2-yloxycarbonylsulfamoylamino)propanoate
SMILESCOC(=O)C(O)CNS(=O)(=O)NC(=O)OC(C)C
InChIInChI=1S/C8H16N2O7S/c1-5(2)17-8(13)10-18(14,15)9-4-6(11)7(12)16-3/h5-6,9,11H,4H2,1-3H3,(H,10,13)
InChIKeyXORPLWGRJKZLDY-UHFFFAOYSA-N
XLogP-1.51
TPSA131.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 5-1.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze methyl 2-hydroxy-3-(propan-2-yloxycarbonylsulfamoylamino)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 3-[(2-hydroxy-3-methoxypropyl)sulfamoyl-methylamino]propanoate
CID 65685979
Methyl 2-hydroxy-3-(propylsulfamoylamino)propanoate
CID 103491271
Methyl 3-(ethoxycarbonylsulfamoylamino)-2-hydroxypropanoate
CID 103491285
Methyl 2-hydroxy-3-(methoxycarbonylsulfamoylamino)propanoate
CID 103491358
Methyl 2-hydroxy-3-(2-methylpropylsulfamoylamino)propanoate
CID 103491359
Methyl 2-hydroxy-3-(methylsulfamoylamino)propanoate
CID 103491402
Methyl 2-hydroxy-3-(2-methoxyethylsulfamoylamino)propanoate
CID 103491404
Methyl 3-[[butyl(methyl)sulfamoyl]amino]-2-hydroxypropanoate
CID 103878695
Methyl 3-(dimethylsulfamoylamino)-2-hydroxypropanoate
CID 103878721
Methyl 3-(diethylsulfamoylamino)-2-hydroxypropanoate
CID 103878740
Methyl 2-hydroxy-3-(propan-2-ylsulfamoylamino)propanoate
CID 103946892
Methyl 2-hydroxy-3-[[(3-methoxy-3-oxopropyl)-methylsulfamoyl]amino]propanoate
CID 103946910

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-(propan-2-yloxycarbonylsulfamoylamino)propanoate?
The IUPAC name of methyl 2-hydroxy-3-(propan-2-yloxycarbonylsulfamoylamino)propanoate (CID 103491338) is methyl 2-hydroxy-3-(propan-2-yloxycarbonylsulfamoylamino)propanoate.
What is the SMILES notation for methyl 2-hydroxy-3-(propan-2-yloxycarbonylsulfamoylamino)propanoate?
The canonical SMILES for methyl 2-hydroxy-3-(propan-2-yloxycarbonylsulfamoylamino)propanoate is COC(=O)C(O)CNS(=O)(=O)NC(=O)OC(C)C.
What is the InChIKey of methyl 2-hydroxy-3-(propan-2-yloxycarbonylsulfamoylamino)propanoate?
The InChIKey is XORPLWGRJKZLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O7S/c1-5(2)17-8(13)10-18(14,15)9-4-6(11)7(12)16-3/h5-6,9,11H,4H2,1-3H3,(H,10,13).
What are the key properties of methyl 2-hydroxy-3-(propan-2-yloxycarbonylsulfamoylamino)propanoate?
methyl 2-hydroxy-3-(propan-2-yloxycarbonylsulfamoylamino)propanoate has a molecular weight of 284.29 g/mol, XLogP of -1.51, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-(propan-2-yloxycarbonylsulfamoylamino)propanoate is sourced from PubChem (CID 103491338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).