methyl 2-amino-3-(sulfamoylamino)propanoate

C4H11N3O4S — CID 117275888

IUPACmethyl 2-amino-3-(sulfamoylamino)propanoate
SMILESCOC(=O)C(N)CNS(N)(=O)=O
InChIInChI=1S/C4H11N3O4S/c1-11-4(8)3(5)2-7-12(6,9)10/h3,7H,2,5H2,1H3,(H2,6,9,10)
InChIKeySPRWFURIEUZDLS-UHFFFAOYSA-N
MW197.22 g/mol
LogP-2.72
Rot. Bonds4

About methyl 2-amino-3-(sulfamoylamino)propanoate

methyl 2-amino-3-(sulfamoylamino)propanoate (PubChem CID 117275888) has the molecular formula C4H11N3O4S and a molecular weight of 197.22 g/mol. Its IUPAC name is methyl 2-amino-3-(sulfamoylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-(sulfamoylamino)propanoate
PubChem CID117275888
Molecular FormulaC4H11N3O4S
Molecular Weight197.22 g/mol
Exact Mass197.05
IUPAC Namemethyl 2-amino-3-(sulfamoylamino)propanoate
SMILESCOC(=O)C(N)CNS(N)(=O)=O
InChIInChI=1S/C4H11N3O4S/c1-11-4(8)3(5)2-7-12(6,9)10/h3,7H,2,5H2,1H3,(H2,6,9,10)
InChIKeySPRWFURIEUZDLS-UHFFFAOYSA-N
XLogP-2.72
TPSA124.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 5-2.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-amino-4-sulfamoylbutanoate
CID 54407912
3-methoxy-4-(sulfamoylamino)butanoic acid
CID 103153567
methyl (2S)-2-amino-3-hydroxypropanoate
CID 2723731
2-amino-1-hydroxy-3-(sulfamoylamino)propane
CID 117275890
1-hydroxy-2-methyl-3-(sulfamoylamino)propane
CID 112689052
methyl 2-amino-3-hydroxypropanoate;hydrochloride
CID 517373
methyl 2-amino-3-selanylpropanoate
CID 174947260
methyl (2R)-2-amino-3-[[(2R)-2-amino-3-methoxy-3-oxopropyl]ditellanyl]propanoate
CID 10813791
methyl (2S)-2-amino-3-methoxypropanoate
CID 11182627
bis(methyl (2S)-2-aminobutanoate);dihydrochloride
CID 174939060
methyl 2-amino-4-[di(propan-2-yl)amino]butanoate
CID 12833060
CID 20647176
CID 20647176

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(sulfamoylamino)propanoate?
The IUPAC name of methyl 2-amino-3-(sulfamoylamino)propanoate (CID 117275888) is methyl 2-amino-3-(sulfamoylamino)propanoate.
What is the SMILES notation for methyl 2-amino-3-(sulfamoylamino)propanoate?
The canonical SMILES for methyl 2-amino-3-(sulfamoylamino)propanoate is COC(=O)C(N)CNS(N)(=O)=O.
What is the InChIKey of methyl 2-amino-3-(sulfamoylamino)propanoate?
The InChIKey is SPRWFURIEUZDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3O4S/c1-11-4(8)3(5)2-7-12(6,9)10/h3,7H,2,5H2,1H3,(H2,6,9,10).
What are the key properties of methyl 2-amino-3-(sulfamoylamino)propanoate?
methyl 2-amino-3-(sulfamoylamino)propanoate has a molecular weight of 197.22 g/mol, XLogP of -2.72, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-(sulfamoylamino)propanoate is sourced from PubChem (CID 117275888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).