3-[ethyl(methoxycarbonylsulfamoyl)amino]propanoic acid

C7H14N2O6S — CID 114462295

IUPAC3-[ethyl(methoxycarbonylsulfamoyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)S(=O)(=O)NC(=O)OC
InChIInChI=1S/C7H14N2O6S/c1-3-9(5-4-6(10)11)16(13,14)8-7(12)15-2/h3-5H2,1-2H3,(H,8,12)(H,10,11)
InChIKeyQEDDFTMOJKUCHP-UHFFFAOYSA-N
MW254.26 g/mol
LogP-0.62
Rot. Bonds6

About 3-[ethyl(methoxycarbonylsulfamoyl)amino]propanoic acid

3-[ethyl(methoxycarbonylsulfamoyl)amino]propanoic acid (PubChem CID 114462295) has the molecular formula C7H14N2O6S and a molecular weight of 254.26 g/mol. Its IUPAC name is 3-[ethyl(methoxycarbonylsulfamoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl(methoxycarbonylsulfamoyl)amino]propanoic acid
PubChem CID114462295
Molecular FormulaC7H14N2O6S
Molecular Weight254.26 g/mol
Exact Mass254.06
IUPAC Name3-[ethyl(methoxycarbonylsulfamoyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)S(=O)(=O)NC(=O)OC
InChIInChI=1S/C7H14N2O6S/c1-3-9(5-4-6(10)11)16(13,14)8-7(12)15-2/h3-5H2,1-2H3,(H,8,12)(H,10,11)
InChIKeyQEDDFTMOJKUCHP-UHFFFAOYSA-N
XLogP-0.62
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[2-bromoethyl(ethyl)sulfamoyl]carbamate
CID 114466563
methyl N-[2-chloroethyl(ethyl)sulfamoyl]carbamate
CID 114466223
methyl N-[(3-amino-3-hydroxyiminopropyl)-ethylsulfamoyl]carbamate
CID 104929328
methyl N-[2-hydroxyethyl(propyl)sulfamoyl]carbamate
CID 114464146
3-[tert-butylsulfamoyl(ethyl)amino]propanoic acid
CID 114805730
3-[ethyl(methylsulfonyl)amino]propanoic acid
CID 39239435
3-[ethyl(2-methylpropylsulfamoyl)amino]propanoic acid
CID 114814475
methyl 3-[ethyl(methylsulfamoyl)amino]propanoate
CID 114811511
ethyl N-[ethyl(3-hydroxypropyl)sulfamoyl]carbamate
CID 114464365
3-[ethoxycarbonylsulfamoyl(methyl)amino]propanoic acid
CID 114462274
4-[N-(methoxycarbonylsulfamoyl)anilino]butanoic acid
CID 114462201
methyl N-[2-bromoethyl(2-methoxyethyl)sulfamoyl]carbamate
CID 114466862

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(methoxycarbonylsulfamoyl)amino]propanoic acid?
The IUPAC name of 3-[ethyl(methoxycarbonylsulfamoyl)amino]propanoic acid (CID 114462295) is 3-[ethyl(methoxycarbonylsulfamoyl)amino]propanoic acid.
What is the SMILES notation for 3-[ethyl(methoxycarbonylsulfamoyl)amino]propanoic acid?
The canonical SMILES for 3-[ethyl(methoxycarbonylsulfamoyl)amino]propanoic acid is CCN(CCC(=O)O)S(=O)(=O)NC(=O)OC.
What is the InChIKey of 3-[ethyl(methoxycarbonylsulfamoyl)amino]propanoic acid?
The InChIKey is QEDDFTMOJKUCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O6S/c1-3-9(5-4-6(10)11)16(13,14)8-7(12)15-2/h3-5H2,1-2H3,(H,8,12)(H,10,11).
What are the key properties of 3-[ethyl(methoxycarbonylsulfamoyl)amino]propanoic acid?
3-[ethyl(methoxycarbonylsulfamoyl)amino]propanoic acid has a molecular weight of 254.26 g/mol, XLogP of -0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(methoxycarbonylsulfamoyl)amino]propanoic acid is sourced from PubChem (CID 114462295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).