methyl 2-hydroxy-3-(methylsulfamoylamino)propanoate

C5H12N2O5S — CID 103491402

IUPACmethyl 2-hydroxy-3-(methylsulfamoylamino)propanoate
SMILESCNS(=O)(=O)NCC(O)C(=O)OC
InChIInChI=1S/C5H12N2O5S/c1-6-13(10,11)7-3-4(8)5(9)12-2/h4,6-8H,3H2,1-2H3
InChIKeyGKGMPXKNZZPKKC-UHFFFAOYSA-N
MW212.23 g/mol
LogP-2.43
Rot. Bonds5

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

methyl 2-hydroxy-3-(methylsulfamoylamino)propanoate (PubChem CID 103491402) has the molecular formula C5H12N2O5S and a molecular weight of 212.23 g/mol. Its IUPAC name is methyl 2-hydroxy-3-(methylsulfamoylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-(methylsulfamoylamino)propanoate
PubChem CID103491402
Molecular FormulaC5H12N2O5S
Molecular Weight212.23 g/mol
Exact Mass212.05
IUPAC Namemethyl 2-hydroxy-3-(methylsulfamoylamino)propanoate
SMILESCNS(=O)(=O)NCC(O)C(=O)OC
InChIInChI=1S/C5H12N2O5S/c1-6-13(10,11)7-3-4(8)5(9)12-2/h4,6-8H,3H2,1-2H3
InChIKeyGKGMPXKNZZPKKC-UHFFFAOYSA-N
XLogP-2.43
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 5-2.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(ethylsulfamoylamino)-2-hydroxypropanoate
CID 103946924
2-hydroxy-3-(methylsulfamoylamino)propanamide
CID 106169457
methyl 2-hydroxy-3-(methylamino)propanoate
CID 86646378
methyl 3-(cyclohexylsulfonylamino)-2-hydroxypropanoate
CID 113356681
methyl 3-(benzenesulfonamido)-2-hydroxypropanoate
CID 103878768
3-methoxy-4-(methylsulfamoylamino)butanoic acid
CID 103153444
methyl 3-(1-cyanopropylsulfonylamino)-2-hydroxypropanoate
CID 103946969
methyl 2-hydroxy-3-[(4-methylsulfonylphenyl)sulfonylamino]propanoate
CID 103878746
methyl 2-hydroxy-3-(propan-2-ylamino)propanoate
CID 103491574
methyl 2-hydroxy-3-[(2-methylphenyl)sulfonylamino]propanoate
CID 113356677
methyl 3-chlorosulfonyl-2-hydroxypropanoate
CID 130593524
methyl 3-[(4-amino-3-bromophenyl)sulfonylamino]-2-hydroxypropanoate
CID 107213744

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-(methylsulfamoylamino)propanoate?
The IUPAC name of methyl 2-hydroxy-3-(methylsulfamoylamino)propanoate (CID 103491402) is methyl 2-hydroxy-3-(methylsulfamoylamino)propanoate.
What is the SMILES notation for methyl 2-hydroxy-3-(methylsulfamoylamino)propanoate?
The canonical SMILES for methyl 2-hydroxy-3-(methylsulfamoylamino)propanoate is CNS(=O)(=O)NCC(O)C(=O)OC.
What is the InChIKey of methyl 2-hydroxy-3-(methylsulfamoylamino)propanoate?
The InChIKey is GKGMPXKNZZPKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O5S/c1-6-13(10,11)7-3-4(8)5(9)12-2/h4,6-8H,3H2,1-2H3.
What are the key properties of methyl 2-hydroxy-3-(methylsulfamoylamino)propanoate?
methyl 2-hydroxy-3-(methylsulfamoylamino)propanoate has a molecular weight of 212.23 g/mol, XLogP of -2.43, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-(methylsulfamoylamino)propanoate is sourced from PubChem (CID 103491402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).