3-[cyclopropyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid

C10H18N2O6S — CID 114462173

IUPAC3-[cyclopropyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid
SMILESCC(C)OC(=O)NS(=O)(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C10H18N2O6S/c1-7(2)18-10(15)11-19(16,17)12(8-3-4-8)6-5-9(13)14/h7-8H,3-6H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyREFPHVYHHQRACW-UHFFFAOYSA-N
MW294.33 g/mol
LogP0.30
Rot. Bonds7

About 3-[cyclopropyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid

3-[cyclopropyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid (PubChem CID 114462173) has the molecular formula C10H18N2O6S and a molecular weight of 294.33 g/mol. Its IUPAC name is 3-[cyclopropyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid
PubChem CID114462173
Molecular FormulaC10H18N2O6S
Molecular Weight294.33 g/mol
Exact Mass294.09
IUPAC Name3-[cyclopropyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid
SMILESCC(C)OC(=O)NS(=O)(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C10H18N2O6S/c1-7(2)18-10(15)11-19(16,17)12(8-3-4-8)6-5-9(13)14/h7-8H,3-6H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyREFPHVYHHQRACW-UHFFFAOYSA-N
XLogP0.30
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[Cyclopropyl(ethoxycarbonylsulfamoyl)amino]propanoic acid
CID 113588586
3-[Ethoxycarbonylsulfamoyl(propan-2-yl)amino]propanoic acid
CID 113588589
2-[Cyclopropyl(propan-2-yloxycarbonylsulfamoyl)amino]acetic acid
CID 113588594
3-[Ethyl(propan-2-yloxycarbonylsulfamoyl)amino]butanoic acid
CID 113588646
Methyl 3-[ethyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoate
CID 113589119
4-[Propan-2-yl(propan-2-yloxycarbonylsulfamoyl)amino]butanoic acid
CID 114462148
3-[Cyclopropyl(methoxycarbonylsulfamoyl)amino]propanoic acid
CID 114462174
3-[Propan-2-yl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid
CID 114462208
3-[Methoxycarbonylsulfamoyl(propan-2-yl)amino]propanoic acid
CID 114462210
3-[Tert-butyl(ethoxycarbonylsulfamoyl)amino]propanoic acid
CID 114462216
3-[Tert-butyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid
CID 114462218
3-[Methyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid
CID 114462276

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid (CID 114462173) is 3-[cyclopropyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid is CC(C)OC(=O)NS(=O)(=O)N(CCC(=O)O)C1CC1.
What is the InChIKey of 3-[cyclopropyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid?
The InChIKey is REFPHVYHHQRACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O6S/c1-7(2)18-10(15)11-19(16,17)12(8-3-4-8)6-5-9(13)14/h7-8H,3-6H2,1-2H3,(H,11,15)(H,13,14).
What are the key properties of 3-[cyclopropyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid?
3-[cyclopropyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid has a molecular weight of 294.33 g/mol, XLogP of 0.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid is sourced from PubChem (CID 114462173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).