methyl 3-(ethylsulfamoylamino)-2-hydroxypropanoate

C6H14N2O5S — CID 103946924

IUPACmethyl 3-(ethylsulfamoylamino)-2-hydroxypropanoate
SMILESCCNS(=O)(=O)NCC(O)C(=O)OC
InChIInChI=1S/C6H14N2O5S/c1-3-7-14(11,12)8-4-5(9)6(10)13-2/h5,7-9H,3-4H2,1-2H3
InChIKeyVRBKYHLNWHYSNQ-UHFFFAOYSA-N
MW226.25 g/mol
LogP-2.04
Rot. Bonds6

About methyl 3-(ethylsulfamoylamino)-2-hydroxypropanoate

methyl 3-(ethylsulfamoylamino)-2-hydroxypropanoate (PubChem CID 103946924) has the molecular formula C6H14N2O5S and a molecular weight of 226.25 g/mol. Its IUPAC name is methyl 3-(ethylsulfamoylamino)-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-(ethylsulfamoylamino)-2-hydroxypropanoate
PubChem CID103946924
Molecular FormulaC6H14N2O5S
Molecular Weight226.25 g/mol
Exact Mass226.06
IUPAC Namemethyl 3-(ethylsulfamoylamino)-2-hydroxypropanoate
SMILESCCNS(=O)(=O)NCC(O)C(=O)OC
InChIInChI=1S/C6H14N2O5S/c1-3-7-14(11,12)8-4-5(9)6(10)13-2/h5,7-9H,3-4H2,1-2H3
InChIKeyVRBKYHLNWHYSNQ-UHFFFAOYSA-N
XLogP-2.04
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 5-2.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-hydroxy-3-(methylsulfamoylamino)propanoate
CID 103491402
methyl 3-(1-cyanopropylsulfonylamino)-2-hydroxypropanoate
CID 103946969
4-(ethylsulfamoylamino)-3-methoxybutanoic acid
CID 103153439
methyl 2-(ethylsulfamoylamino)-3-methylbutanoate
CID 114811430
methyl 2-hydroxy-3-(methylamino)propanoate
CID 86646378
methyl 3-(cyclohexylsulfonylamino)-2-hydroxypropanoate
CID 113356681
methyl 3-(benzenesulfonamido)-2-hydroxypropanoate
CID 103878768
2-ethyl-N-(ethylsulfamoyl)butan-1-amine
CID 115638452
methyl 2-hydroxy-3-[(4-methylsulfonylphenyl)sulfonylamino]propanoate
CID 103878746
methyl 3-(ethoxycarbonylsulfamoylamino)-2-iodopropanoate
CID 103493615
methyl 2-hydroxy-3-(propan-2-ylamino)propanoate
CID 103491574
methyl 3-[(3-amino-4-ethylphenyl)sulfonylamino]-2-hydroxypropanoate
CID 107213720

Frequently Asked Questions

What is the IUPAC name of methyl 3-(ethylsulfamoylamino)-2-hydroxypropanoate?
The IUPAC name of methyl 3-(ethylsulfamoylamino)-2-hydroxypropanoate (CID 103946924) is methyl 3-(ethylsulfamoylamino)-2-hydroxypropanoate.
What is the SMILES notation for methyl 3-(ethylsulfamoylamino)-2-hydroxypropanoate?
The canonical SMILES for methyl 3-(ethylsulfamoylamino)-2-hydroxypropanoate is CCNS(=O)(=O)NCC(O)C(=O)OC.
What is the InChIKey of methyl 3-(ethylsulfamoylamino)-2-hydroxypropanoate?
The InChIKey is VRBKYHLNWHYSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O5S/c1-3-7-14(11,12)8-4-5(9)6(10)13-2/h5,7-9H,3-4H2,1-2H3.
What are the key properties of methyl 3-(ethylsulfamoylamino)-2-hydroxypropanoate?
methyl 3-(ethylsulfamoylamino)-2-hydroxypropanoate has a molecular weight of 226.25 g/mol, XLogP of -2.04, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(ethylsulfamoylamino)-2-hydroxypropanoate is sourced from PubChem (CID 103946924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).