2-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]butanoic acid

C9H18N2O6S — CID 114462480

IUPAC2-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]butanoic acid
SMILESCCC(C(=O)O)N(C)S(=O)(=O)NC(=O)OC(C)C
InChIInChI=1S/C9H18N2O6S/c1-5-7(8(12)13)11(4)18(15,16)10-9(14)17-6(2)3/h6-7H,5H2,1-4H3,(H,10,14)(H,12,13)
InChIKeyQKVRNDVKLXWVQE-UHFFFAOYSA-N
MW282.32 g/mol
LogP0.16
Rot. Bonds6

About 2-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]butanoic acid

2-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]butanoic acid (PubChem CID 114462480) has the molecular formula C9H18N2O6S and a molecular weight of 282.32 g/mol. Its IUPAC name is 2-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]butanoic acid
PubChem CID114462480
Molecular FormulaC9H18N2O6S
Molecular Weight282.32 g/mol
Exact Mass282.09
IUPAC Name2-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]butanoic acid
SMILESCCC(C(=O)O)N(C)S(=O)(=O)NC(=O)OC(C)C
InChIInChI=1S/C9H18N2O6S/c1-5-7(8(12)13)11(4)18(15,16)10-9(14)17-6(2)3/h6-7H,5H2,1-4H3,(H,10,14)(H,12,13)
InChIKeyQKVRNDVKLXWVQE-UHFFFAOYSA-N
XLogP0.16
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid
CID 104929158
(2S)-2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid
CID 104929177
2-[Cyclopropyl(propan-2-yloxycarbonylsulfamoyl)amino]acetic acid
CID 113588594
2-[Propan-2-yloxycarbonylsulfamoyl(propyl)amino]acetic acid
CID 113588600
3-[Ethyl(propan-2-yloxycarbonylsulfamoyl)amino]butanoic acid
CID 113588646
2-(Propan-2-yloxycarbonylsulfamoylamino)butanoic acid
CID 114462104
4-[Propan-2-yl(propan-2-yloxycarbonylsulfamoyl)amino]butanoic acid
CID 114462148
2-[Butan-2-yl(ethoxycarbonylsulfamoyl)amino]acetic acid
CID 114462160
2-[Butan-2-yl(propan-2-yloxycarbonylsulfamoyl)amino]acetic acid
CID 114462161
2-[Ethoxycarbonylsulfamoyl(propan-2-yl)amino]acetic acid
CID 114462166
2-[Propan-2-yl(propan-2-yloxycarbonylsulfamoyl)amino]acetic acid
CID 114462167
2-[Ethyl(propan-2-yloxycarbonylsulfamoyl)amino]acetic acid
CID 114462282

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]butanoic acid?
The IUPAC name of 2-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]butanoic acid (CID 114462480) is 2-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]butanoic acid.
What is the SMILES notation for 2-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]butanoic acid?
The canonical SMILES for 2-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]butanoic acid is CCC(C(=O)O)N(C)S(=O)(=O)NC(=O)OC(C)C.
What is the InChIKey of 2-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]butanoic acid?
The InChIKey is QKVRNDVKLXWVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O6S/c1-5-7(8(12)13)11(4)18(15,16)10-9(14)17-6(2)3/h6-7H,5H2,1-4H3,(H,10,14)(H,12,13).
What are the key properties of 2-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]butanoic acid?
2-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]butanoic acid has a molecular weight of 282.32 g/mol, XLogP of 0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]butanoic acid is sourced from PubChem (CID 114462480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).