methyl 2-hydroxy-3-(2-methoxyethylsulfamoylamino)propanoate

C7H16N2O6S — CID 103491404

IUPACmethyl 2-hydroxy-3-(2-methoxyethylsulfamoylamino)propanoate
SMILESCOCCNS(=O)(=O)NCC(O)C(=O)OC
InChIInChI=1S/C7H16N2O6S/c1-14-4-3-8-16(12,13)9-5-6(10)7(11)15-2/h6,8-10H,3-5H2,1-2H3
InChIKeyNLLBMOICAXIKLQ-UHFFFAOYSA-N
MW256.28 g/mol
LogP-2.41
Rot. Bonds8

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

methyl 2-hydroxy-3-(2-methoxyethylsulfamoylamino)propanoate (PubChem CID 103491404) has the molecular formula C7H16N2O6S and a molecular weight of 256.28 g/mol. Its IUPAC name is methyl 2-hydroxy-3-(2-methoxyethylsulfamoylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-(2-methoxyethylsulfamoylamino)propanoate
PubChem CID103491404
Molecular FormulaC7H16N2O6S
Molecular Weight256.28 g/mol
Exact Mass256.07
IUPAC Namemethyl 2-hydroxy-3-(2-methoxyethylsulfamoylamino)propanoate
SMILESCOCCNS(=O)(=O)NCC(O)C(=O)OC
InChIInChI=1S/C7H16N2O6S/c1-14-4-3-8-16(12,13)9-5-6(10)7(11)15-2/h6,8-10H,3-5H2,1-2H3
InChIKeyNLLBMOICAXIKLQ-UHFFFAOYSA-N
XLogP-2.41
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 5-2.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Methyl 2-hydroxy-3-(2,2,2-trifluoroethylsulfamoylamino)propanoate
CID 103491388
2-Methoxy-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid
CID 106108298
3-Amino-2-hydroxypropanoic acid;methyl 3-amino-2-hydroxypropanoate
CID 156849081
(2S)-3-amino-2-hydroxypropanoic acid;methyl (2S)-3-amino-2-hydroxypropanoate;hydrochloride
CID 157859685
3-Amino-2-hydroxypropanoic acid;methyl 3-amino-2-hydroxypropanoate;hydrochloride
CID 157859686
(2S)-3-amino-2-hydroxypropanoic acid;methanol;methyl (2S)-3-amino-2-hydroxypropanoate;hydrochloride
CID 158363914
3-Amino-2-hydroxypropanoic acid;methyl 3-amino-2-hydroxypropanoate;thionyl dichloride
CID 167621204
Methyl 3-[(2-hydroxy-3-methoxypropyl)sulfamoyl-methylamino]propanoate
CID 65685979
3-[(2-Hydroxy-3-methoxypropyl)sulfamoyl-methylamino]propanoic acid
CID 65685980
2-Hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]propanoic acid
CID 66165051
2-Propoxyethyl 3-amino-2-hydroxypropanoate
CID 66165195
2-Propan-2-yloxyethyl 3-amino-2-hydroxypropanoate
CID 66165395

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-(2-methoxyethylsulfamoylamino)propanoate?
The IUPAC name of methyl 2-hydroxy-3-(2-methoxyethylsulfamoylamino)propanoate (CID 103491404) is methyl 2-hydroxy-3-(2-methoxyethylsulfamoylamino)propanoate.
What is the SMILES notation for methyl 2-hydroxy-3-(2-methoxyethylsulfamoylamino)propanoate?
The canonical SMILES for methyl 2-hydroxy-3-(2-methoxyethylsulfamoylamino)propanoate is COCCNS(=O)(=O)NCC(O)C(=O)OC.
What is the InChIKey of methyl 2-hydroxy-3-(2-methoxyethylsulfamoylamino)propanoate?
The InChIKey is NLLBMOICAXIKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O6S/c1-14-4-3-8-16(12,13)9-5-6(10)7(11)15-2/h6,8-10H,3-5H2,1-2H3.
What are the key properties of methyl 2-hydroxy-3-(2-methoxyethylsulfamoylamino)propanoate?
methyl 2-hydroxy-3-(2-methoxyethylsulfamoylamino)propanoate has a molecular weight of 256.28 g/mol, XLogP of -2.41, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-(2-methoxyethylsulfamoylamino)propanoate is sourced from PubChem (CID 103491404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).