methyl (2R)-2-acetamido-3-sulfamoylpropanoate

C6H12N2O5S — CID 21117273

IUPACmethyl (2R)-2-acetamido-3-sulfamoylpropanoate
SMILESCOC(=O)[C@H](CS(N)(=O)=O)NC(C)=O
InChIInChI=1S/C6H12N2O5S/c1-4(9)8-5(6(10)13-2)3-14(7,11)12/h5H,3H2,1-2H3,(H,8,9)(H2,7,11,12)/t5-/m0/s1
InChIKeyDAGQZGBWFFPPLU-YFKPBYRVSA-N
MW224.24 g/mol
LogP-2.05
Rot. Bonds4

About methyl (2R)-2-acetamido-3-sulfamoylpropanoate

methyl (2R)-2-acetamido-3-sulfamoylpropanoate (PubChem CID 21117273) has the molecular formula C6H12N2O5S and a molecular weight of 224.24 g/mol. Its IUPAC name is methyl (2R)-2-acetamido-3-sulfamoylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-acetamido-3-sulfamoylpropanoate
PubChem CID21117273
Molecular FormulaC6H12N2O5S
Molecular Weight224.24 g/mol
Exact Mass224.05
IUPAC Namemethyl (2R)-2-acetamido-3-sulfamoylpropanoate
SMILESCOC(=O)[C@H](CS(N)(=O)=O)NC(C)=O
InChIInChI=1S/C6H12N2O5S/c1-4(9)8-5(6(10)13-2)3-14(7,11)12/h5H,3H2,1-2H3,(H,8,9)(H2,7,11,12)/t5-/m0/s1
InChIKeyDAGQZGBWFFPPLU-YFKPBYRVSA-N
XLogP-2.05
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 5-2.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl (2R,5R)-2,5-diacetamidohexanedioate
CID 88873826
dimethyl 2,5-diacetamidohexanedioate
CID 88873788
methyl (2S)-2-acetamidobutanoate
CID 11084154
methyl 2-acetamido-3-[methyl(propan-2-yl)amino]propanoate
CID 65442241
methyl 2-acetamido-3-acetyloxypropanoate
CID 538243
methyl (2R)-2-acetamido-3-methylsulfanylpropanoate
CID 13059384
methyl (2R)-2-acetamido-3-[(2-acetamido-3-methoxy-3-oxopropyl)disulfanyl]propanoate
CID 54565842
methyl 2-acetamidooctanoate
CID 6429509
methyl 2-acetamido-3-(2-methoxyethoxyamino)propanoate
CID 103261713
methyl 2-acetamido-3-(2,4-dimethylphenyl)sulfonylpropanoate
CID 65442838
methyl 2-acetamido-3-[ethyl(propan-2-yl)amino]propanoate
CID 65441847
CID 157010257
CID 157010257

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-acetamido-3-sulfamoylpropanoate?
The IUPAC name of methyl (2R)-2-acetamido-3-sulfamoylpropanoate (CID 21117273) is methyl (2R)-2-acetamido-3-sulfamoylpropanoate.
What is the SMILES notation for methyl (2R)-2-acetamido-3-sulfamoylpropanoate?
The canonical SMILES for methyl (2R)-2-acetamido-3-sulfamoylpropanoate is COC(=O)[C@H](CS(N)(=O)=O)NC(C)=O.
What is the InChIKey of methyl (2R)-2-acetamido-3-sulfamoylpropanoate?
The InChIKey is DAGQZGBWFFPPLU-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H12N2O5S/c1-4(9)8-5(6(10)13-2)3-14(7,11)12/h5H,3H2,1-2H3,(H,8,9)(H2,7,11,12)/t5-/m0/s1.
What are the key properties of methyl (2R)-2-acetamido-3-sulfamoylpropanoate?
methyl (2R)-2-acetamido-3-sulfamoylpropanoate has a molecular weight of 224.24 g/mol, XLogP of -2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-acetamido-3-sulfamoylpropanoate is sourced from PubChem (CID 21117273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).