3-[ethyl(2-methylpropylsulfamoyl)amino]propanoic acid

C9H20N2O4S — CID 114814475

IUPAC3-[ethyl(2-methylpropylsulfamoyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)S(=O)(=O)NCC(C)C
InChIInChI=1S/C9H20N2O4S/c1-4-11(6-5-9(12)13)16(14,15)10-7-8(2)3/h8,10H,4-7H2,1-3H3,(H,12,13)
InChIKeyRNHSRVUAZXMTBY-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.27
Rot. Bonds8

About 3-[ethyl(2-methylpropylsulfamoyl)amino]propanoic acid

3-[ethyl(2-methylpropylsulfamoyl)amino]propanoic acid (PubChem CID 114814475) has the molecular formula C9H20N2O4S and a molecular weight of 252.34 g/mol. Its IUPAC name is 3-[ethyl(2-methylpropylsulfamoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl(2-methylpropylsulfamoyl)amino]propanoic acid
PubChem CID114814475
Molecular FormulaC9H20N2O4S
Molecular Weight252.34 g/mol
Exact Mass252.11
IUPAC Name3-[ethyl(2-methylpropylsulfamoyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)S(=O)(=O)NCC(C)C
InChIInChI=1S/C9H20N2O4S/c1-4-11(6-5-9(12)13)16(14,15)10-7-8(2)3/h8,10H,4-7H2,1-3H3,(H,12,13)
InChIKeyRNHSRVUAZXMTBY-UHFFFAOYSA-N
XLogP0.27
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(diethylsulfamoylamino)-2-methylpropane
CID 60708093
3-(diethylsulfamoylamino)-2-methylpropanoic acid
CID 62675349
3-[tert-butylsulfamoyl(ethyl)amino]propanoic acid
CID 114805730
3-[ethyl(methylsulfonyl)amino]propanoic acid
CID 39239435
3-[ethyl(methoxycarbonylsulfamoyl)amino]propanoic acid
CID 114462295
(2S)-3-(diethylsulfamoylamino)-2-hydroxypropanoic acid
CID 104936006
N'-hydroxy-2-[2-methylpropylsulfamoyl(propyl)amino]ethanimidamide
CID 104978790
2-[methyl(2-methylpropylsulfamoyl)amino]propanoic acid
CID 114814529
2-[2-carboxyethyl(propan-2-yl)amino]butanoic acid
CID 82328618
2-amino-1-(diethylsulfamoylamino)-3-hydroxybutane
CID 64539372
1-(diethylsulfamoylamino)-4-hydroxy-2-methylbutane
CID 66108866
1-amino-4-[[ethyl(2-methylpropylsulfamoyl)amino]methyl]benzene
CID 114814046

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-methylpropylsulfamoyl)amino]propanoic acid?
The IUPAC name of 3-[ethyl(2-methylpropylsulfamoyl)amino]propanoic acid (CID 114814475) is 3-[ethyl(2-methylpropylsulfamoyl)amino]propanoic acid.
What is the SMILES notation for 3-[ethyl(2-methylpropylsulfamoyl)amino]propanoic acid?
The canonical SMILES for 3-[ethyl(2-methylpropylsulfamoyl)amino]propanoic acid is CCN(CCC(=O)O)S(=O)(=O)NCC(C)C.
What is the InChIKey of 3-[ethyl(2-methylpropylsulfamoyl)amino]propanoic acid?
The InChIKey is RNHSRVUAZXMTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S/c1-4-11(6-5-9(12)13)16(14,15)10-7-8(2)3/h8,10H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 3-[ethyl(2-methylpropylsulfamoyl)amino]propanoic acid?
3-[ethyl(2-methylpropylsulfamoyl)amino]propanoic acid has a molecular weight of 252.34 g/mol, XLogP of 0.27, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-methylpropylsulfamoyl)amino]propanoic acid is sourced from PubChem (CID 114814475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).