methyl 3-(ethoxycarbonylsulfamoylamino)-2-hydroxypropanoate

C7H14N2O7S — CID 103491285

IUPACmethyl 3-(ethoxycarbonylsulfamoylamino)-2-hydroxypropanoate
SMILESCCOC(=O)NS(=O)(=O)NCC(O)C(=O)OC
InChIInChI=1S/C7H14N2O7S/c1-3-16-7(12)9-17(13,14)8-4-5(10)6(11)15-2/h5,8,10H,3-4H2,1-2H3,(H,9,12)
InChIKeyKZXAJMMIYXLATO-UHFFFAOYSA-N
MW270.26 g/mol
LogP-1.90
Rot. Bonds6

About methyl 3-(ethoxycarbonylsulfamoylamino)-2-hydroxypropanoate

methyl 3-(ethoxycarbonylsulfamoylamino)-2-hydroxypropanoate (PubChem CID 103491285) has the molecular formula C7H14N2O7S and a molecular weight of 270.26 g/mol. Its IUPAC name is methyl 3-(ethoxycarbonylsulfamoylamino)-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-(ethoxycarbonylsulfamoylamino)-2-hydroxypropanoate
PubChem CID103491285
Molecular FormulaC7H14N2O7S
Molecular Weight270.26 g/mol
Exact Mass270.05
IUPAC Namemethyl 3-(ethoxycarbonylsulfamoylamino)-2-hydroxypropanoate
SMILESCCOC(=O)NS(=O)(=O)NCC(O)C(=O)OC
InChIInChI=1S/C7H14N2O7S/c1-3-16-7(12)9-17(13,14)8-4-5(10)6(11)15-2/h5,8,10H,3-4H2,1-2H3,(H,9,12)
InChIKeyKZXAJMMIYXLATO-UHFFFAOYSA-N
XLogP-1.90
TPSA131.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 5-1.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(ethoxycarbonylsulfamoylamino)-2-hydroxypropanoate?
The IUPAC name of methyl 3-(ethoxycarbonylsulfamoylamino)-2-hydroxypropanoate (CID 103491285) is methyl 3-(ethoxycarbonylsulfamoylamino)-2-hydroxypropanoate.
What is the SMILES notation for methyl 3-(ethoxycarbonylsulfamoylamino)-2-hydroxypropanoate?
The canonical SMILES for methyl 3-(ethoxycarbonylsulfamoylamino)-2-hydroxypropanoate is CCOC(=O)NS(=O)(=O)NCC(O)C(=O)OC.
What is the InChIKey of methyl 3-(ethoxycarbonylsulfamoylamino)-2-hydroxypropanoate?
The InChIKey is KZXAJMMIYXLATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O7S/c1-3-16-7(12)9-17(13,14)8-4-5(10)6(11)15-2/h5,8,10H,3-4H2,1-2H3,(H,9,12).
What are the key properties of methyl 3-(ethoxycarbonylsulfamoylamino)-2-hydroxypropanoate?
methyl 3-(ethoxycarbonylsulfamoylamino)-2-hydroxypropanoate has a molecular weight of 270.26 g/mol, XLogP of -1.90, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(ethoxycarbonylsulfamoylamino)-2-hydroxypropanoate is sourced from PubChem (CID 103491285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).