methyl 2-amino-4-sulfamoylbutanoate

C5H12N2O4S — CID 54407912

IUPACmethyl 2-amino-4-sulfamoylbutanoate
SMILESCOC(=O)C(N)CCS(N)(=O)=O
InChIInChI=1S/C5H12N2O4S/c1-11-5(8)4(6)2-3-12(7,9)10/h4H,2-3,6H2,1H3,(H2,7,9,10)
InChIKeyVSBFTNVGVYOAPJ-UHFFFAOYSA-N
MW196.23 g/mol
LogP-1.83
Rot. Bonds4

About methyl 2-amino-4-sulfamoylbutanoate

methyl 2-amino-4-sulfamoylbutanoate (PubChem CID 54407912) has the molecular formula C5H12N2O4S and a molecular weight of 196.23 g/mol. Its IUPAC name is methyl 2-amino-4-sulfamoylbutanoate.

Molecular Properties

Compound Namemethyl 2-amino-4-sulfamoylbutanoate
PubChem CID54407912
Molecular FormulaC5H12N2O4S
Molecular Weight196.23 g/mol
Exact Mass196.05
IUPAC Namemethyl 2-amino-4-sulfamoylbutanoate
SMILESCOC(=O)C(N)CCS(N)(=O)=O
InChIInChI=1S/C5H12N2O4S/c1-11-5(8)4(6)2-3-12(7,9)10/h4H,2-3,6H2,1H3,(H2,7,9,10)
InChIKeyVSBFTNVGVYOAPJ-UHFFFAOYSA-N
XLogP-1.83
TPSA112.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 5-1.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2R)-2-amino-4-fluorobutanoate
CID 124512753
methyl 2-aminopentanoate
CID 533890
methyl (2R)-2,4-diaminobutanoate;dihydrochloride
CID 155920841
methyl 3-sulfamoylpropanoate
CID 16787339
dimethyl (2S)-2-amino(1,2,3,4,5-13C5)pentanedioate
CID 171381659
methyl 2-amino-3-(sulfamoylamino)propanoate
CID 117275888
methyl (2S)-2-amino-4-sulfanylbutanoate;hydrochloride
CID 142639928
methyl (2S)-2-aminohexanoate
CID 7018840
(4R)-4-amino-5-methoxy-5-oxopentanoic acid
CID 54301988
methyl 2-amino-4-[di(propan-2-yl)amino]butanoate
CID 12833060
methyl 2-amino-5-fluoropentanoate
CID 81106108
ethane;methyl 2,5-diaminopentanoate
CID 142442335

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-sulfamoylbutanoate?
The IUPAC name of methyl 2-amino-4-sulfamoylbutanoate (CID 54407912) is methyl 2-amino-4-sulfamoylbutanoate.
What is the SMILES notation for methyl 2-amino-4-sulfamoylbutanoate?
The canonical SMILES for methyl 2-amino-4-sulfamoylbutanoate is COC(=O)C(N)CCS(N)(=O)=O.
What is the InChIKey of methyl 2-amino-4-sulfamoylbutanoate?
The InChIKey is VSBFTNVGVYOAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O4S/c1-11-5(8)4(6)2-3-12(7,9)10/h4H,2-3,6H2,1H3,(H2,7,9,10).
What are the key properties of methyl 2-amino-4-sulfamoylbutanoate?
methyl 2-amino-4-sulfamoylbutanoate has a molecular weight of 196.23 g/mol, XLogP of -1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-sulfamoylbutanoate is sourced from PubChem (CID 54407912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).