methyl 2-(2-methoxyethylsulfamoylamino)propanoate

C7H16N2O5S — CID 114816323

IUPACmethyl 2-(2-methoxyethylsulfamoylamino)propanoate
SMILESCOCCNS(=O)(=O)NC(C)C(=O)OC
InChIInChI=1S/C7H16N2O5S/c1-6(7(10)14-3)9-15(11,12)8-4-5-13-2/h6,8-9H,4-5H2,1-3H3
InChIKeyCKLATEZFNVWBPT-UHFFFAOYSA-N
MW240.28 g/mol
LogP-1.38
Rot. Bonds7

About methyl 2-(2-methoxyethylsulfamoylamino)propanoate

methyl 2-(2-methoxyethylsulfamoylamino)propanoate (PubChem CID 114816323) has the molecular formula C7H16N2O5S and a molecular weight of 240.28 g/mol. Its IUPAC name is methyl 2-(2-methoxyethylsulfamoylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-(2-methoxyethylsulfamoylamino)propanoate
PubChem CID114816323
Molecular FormulaC7H16N2O5S
Molecular Weight240.28 g/mol
Exact Mass240.08
IUPAC Namemethyl 2-(2-methoxyethylsulfamoylamino)propanoate
SMILESCOCCNS(=O)(=O)NC(C)C(=O)OC
InChIInChI=1S/C7H16N2O5S/c1-6(7(10)14-3)9-15(11,12)8-4-5-13-2/h6,8-9H,4-5H2,1-3H3
InChIKeyCKLATEZFNVWBPT-UHFFFAOYSA-N
XLogP-1.38
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 5-1.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethylsulfamoylamino)-3-methylbutan-1-ol
CID 114815733
3-(2-methoxyethylsulfamoylamino)-4-methylpentanoic acid
CID 114814837
N-(2-methoxyethylsulfamoyl)but-3-yn-2-amine
CID 114816692
3-(2-methoxyethylsulfamoylamino)-4-methylpentan-1-ol
CID 106353414
3-(2-methoxyethylsulfamoylamino)pentanethioamide
CID 114815267
(2R)-2-(2-methoxyethylsulfamoylamino)pentanoic acid
CID 107564844
3-(2-methoxyethylsulfamoylamino)hexanoic acid
CID 114814835
4-(2-methoxyethylsulfamoylamino)-3-methylbutanoic acid
CID 114814766
ethyl 2-(ethylsulfamoylamino)propanoate
CID 115638422
methyl 3-[2-methoxyethylsulfamoyl(methyl)amino]-2-methylpropanoate
CID 114816329
N'-hydroxy-2-(2-methoxyethylsulfamoylamino)ethanimidamide
CID 104978766
methyl 2-(bromomethylsulfonylamino)propanoate
CID 83085959

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methoxyethylsulfamoylamino)propanoate?
The IUPAC name of methyl 2-(2-methoxyethylsulfamoylamino)propanoate (CID 114816323) is methyl 2-(2-methoxyethylsulfamoylamino)propanoate.
What is the SMILES notation for methyl 2-(2-methoxyethylsulfamoylamino)propanoate?
The canonical SMILES for methyl 2-(2-methoxyethylsulfamoylamino)propanoate is COCCNS(=O)(=O)NC(C)C(=O)OC.
What is the InChIKey of methyl 2-(2-methoxyethylsulfamoylamino)propanoate?
The InChIKey is CKLATEZFNVWBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O5S/c1-6(7(10)14-3)9-15(11,12)8-4-5-13-2/h6,8-9H,4-5H2,1-3H3.
What are the key properties of methyl 2-(2-methoxyethylsulfamoylamino)propanoate?
methyl 2-(2-methoxyethylsulfamoylamino)propanoate has a molecular weight of 240.28 g/mol, XLogP of -1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methoxyethylsulfamoylamino)propanoate is sourced from PubChem (CID 114816323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).