3-[ethoxycarbonylsulfamoyl(methyl)amino]propanoic acid

C7H14N2O6S — CID 114462274

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

About 3-[ethoxycarbonylsulfamoyl(methyl)amino]propanoic acid

3-[ethoxycarbonylsulfamoyl(methyl)amino]propanoic acid (PubChem CID 114462274) has the molecular formula C7H14N2O6S and a molecular weight of 254.26 g/mol. Its IUPAC name is 3-[ethoxycarbonylsulfamoyl(methyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[ethoxycarbonylsulfamoyl(methyl)amino]propanoic acid
PubChem CID114462274
Molecular FormulaC7H14N2O6S
Molecular Weight254.26 g/mol
Exact Mass254.06
IUPAC Name3-[ethoxycarbonylsulfamoyl(methyl)amino]propanoic acid
SMILESCCOC(=O)NS(=O)(=O)N(C)CCC(=O)O
InChIInChI=1S/C7H14N2O6S/c1-3-15-7(12)8-16(13,14)9(2)5-4-6(10)11/h3-5H2,1-2H3,(H,8,12)(H,10,11)
InChIKeyQFFULFJGDNFCQP-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

ethyl N-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]carbamate
CID 114464308
ethyl N-[bis(2-chloroethyl)sulfamoyl]carbamate
CID 114464074
ethyl N-[2-chloroethyl(propyl)sulfamoyl]carbamate
CID 114466236
ethyl N-[(1-amino-2-methylpropan-2-yl)-methylsulfamoyl]carbamate
CID 114461340
ethyl N-[ethyl(3-hydroxypropyl)sulfamoyl]carbamate
CID 114464365
methyl N-[2-hydroxyethyl(methyl)sulfamoyl]carbamate
CID 114464124
3-[ethyl(methoxycarbonylsulfamoyl)amino]propanoic acid
CID 114462295
methyl 3-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoate
CID 114465476
4-[[2-(ethoxycarbonylamino)-2-oxoethyl]-methylamino]butanoic acid
CID 55005595
3-[(1-amino-2-methyl-1-oxobutan-2-yl)sulfamoyl-methylamino]propanoic acid
CID 112737995
3-[bis(2-ethoxyethyl)sulfamoyl-methylamino]propanoic acid
CID 82960749
5-(ethoxycarbonylsulfamoylamino)hexanoic acid
CID 114463014

Frequently Asked Questions

What is the IUPAC name of 3-[ethoxycarbonylsulfamoyl(methyl)amino]propanoic acid?
The IUPAC name of 3-[ethoxycarbonylsulfamoyl(methyl)amino]propanoic acid (CID 114462274) is 3-[ethoxycarbonylsulfamoyl(methyl)amino]propanoic acid.
What is the SMILES notation for 3-[ethoxycarbonylsulfamoyl(methyl)amino]propanoic acid?
The canonical SMILES for 3-[ethoxycarbonylsulfamoyl(methyl)amino]propanoic acid is CCOC(=O)NS(=O)(=O)N(C)CCC(=O)O.
What is the InChIKey of 3-[ethoxycarbonylsulfamoyl(methyl)amino]propanoic acid?
The InChIKey is QFFULFJGDNFCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O6S/c1-3-15-7(12)8-16(13,14)9(2)5-4-6(10)11/h3-5H2,1-2H3,(H,8,12)(H,10,11).
What are the key properties of 3-[ethoxycarbonylsulfamoyl(methyl)amino]propanoic acid?
3-[ethoxycarbonylsulfamoyl(methyl)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-[ethoxycarbonylsulfamoyl(methyl)amino]propanoic acid is sourced from PubChem (CID 114462274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).