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

C10H20N2O6S — CID 114462208

IUPAC3-[propan-2-yl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid
SMILESCC(C)OC(=O)NS(=O)(=O)N(CCC(=O)O)C(C)C
InChIInChI=1S/C10H20N2O6S/c1-7(2)12(6-5-9(13)14)19(16,17)11-10(15)18-8(3)4/h7-8H,5-6H2,1-4H3,(H,11,15)(H,13,14)
InChIKeyFDHHSAIRNFWXDU-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.55
Rot. Bonds7

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

3-[propan-2-yl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid (PubChem CID 114462208) has the molecular formula C10H20N2O6S and a molecular weight of 296.35 g/mol. Its IUPAC name is 3-[propan-2-yl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[propan-2-yl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid
PubChem CID114462208
Molecular FormulaC10H20N2O6S
Molecular Weight296.35 g/mol
Exact Mass296.10
IUPAC Name3-[propan-2-yl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid
SMILESCC(C)OC(=O)NS(=O)(=O)N(CCC(=O)O)C(C)C
InChIInChI=1S/C10H20N2O6S/c1-7(2)12(6-5-9(13)14)19(16,17)11-10(15)18-8(3)4/h7-8H,5-6H2,1-4H3,(H,11,15)(H,13,14)
InChIKeyFDHHSAIRNFWXDU-UHFFFAOYSA-N
XLogP0.55
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl N-[3-bromopropyl(propan-2-yl)sulfamoyl]carbamate
CID 114466588
2-[carboxymethyl(propan-2-yloxycarbonylsulfamoyl)amino]acetic acid
CID 114462664
propan-2-yl N-[2-hydroxyethyl(methyl)sulfamoyl]carbamate
CID 114464122
methyl 3-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoate
CID 114465476
propan-2-yl N-[2-bromoethyl(methyl)sulfamoyl]carbamate
CID 114466545
propan-2-yl N-[1-hydroxypropan-2-yl(methyl)sulfamoyl]carbamate
CID 114464359
propan-2-yl N-[(2-amino-2-iminoethyl)-propan-2-ylsulfamoyl]carbamate
CID 114467537
3-[(1-methoxy-1-oxopropan-2-yl)sulfonyl-propan-2-ylamino]propanoic acid
CID 54951313
propan-2-yl N-[(3-amino-2,2-dimethylpropyl)-propylsulfamoyl]carbamate
CID 114465106
propan-2-yl N-[cyclobutyl(2-hydroxyethyl)sulfamoyl]carbamate
CID 102867663
propan-2-yl N-[1-cyanopropan-2-yl(methyl)sulfamoyl]carbamate
CID 114463424
propan-2-yl N-[cyclopentyl(2-hydroxyethyl)sulfamoyl]carbamate
CID 114464161

Frequently Asked Questions

What is the IUPAC name of 3-[propan-2-yl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid?
The IUPAC name of 3-[propan-2-yl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid (CID 114462208) is 3-[propan-2-yl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid.
What is the SMILES notation for 3-[propan-2-yl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid?
The canonical SMILES for 3-[propan-2-yl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid is CC(C)OC(=O)NS(=O)(=O)N(CCC(=O)O)C(C)C.
What is the InChIKey of 3-[propan-2-yl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid?
The InChIKey is FDHHSAIRNFWXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O6S/c1-7(2)12(6-5-9(13)14)19(16,17)11-10(15)18-8(3)4/h7-8H,5-6H2,1-4H3,(H,11,15)(H,13,14).
What are the key properties of 3-[propan-2-yl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid?
3-[propan-2-yl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid has a molecular weight of 296.35 g/mol, XLogP of 0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[propan-2-yl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid is sourced from PubChem (CID 114462208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).