4,4-dimethyl-3-(propan-2-yloxycarbonylsulfamoylamino)pentanoic acid

C11H22N2O6S — CID 114463001

IUPAC4,4-dimethyl-3-(propan-2-yloxycarbonylsulfamoylamino)pentanoic acid
SMILESCC(C)OC(=O)NS(=O)(=O)NC(CC(=O)O)C(C)(C)C
InChIInChI=1S/C11H22N2O6S/c1-7(2)19-10(16)13-20(17,18)12-8(6-9(14)15)11(3,4)5/h7-8,12H,6H2,1-5H3,(H,13,16)(H,14,15)
InChIKeyCIXOXBDSPBBJEF-UHFFFAOYSA-N
MW310.37 g/mol
LogP0.84
Rot. Bonds6

About 4,4-dimethyl-3-(propan-2-yloxycarbonylsulfamoylamino)pentanoic acid

4,4-dimethyl-3-(propan-2-yloxycarbonylsulfamoylamino)pentanoic acid (PubChem CID 114463001) has the molecular formula C11H22N2O6S and a molecular weight of 310.37 g/mol. Its IUPAC name is 4,4-dimethyl-3-(propan-2-yloxycarbonylsulfamoylamino)pentanoic acid.

Molecular Properties

Compound Name4,4-dimethyl-3-(propan-2-yloxycarbonylsulfamoylamino)pentanoic acid
PubChem CID114463001
Molecular FormulaC11H22N2O6S
Molecular Weight310.37 g/mol
Exact Mass310.12
IUPAC Name4,4-dimethyl-3-(propan-2-yloxycarbonylsulfamoylamino)pentanoic acid
SMILESCC(C)OC(=O)NS(=O)(=O)NC(CC(=O)O)C(C)(C)C
InChIInChI=1S/C11H22N2O6S/c1-7(2)19-10(16)13-20(17,18)12-8(6-9(14)15)11(3,4)5/h7-8,12H,6H2,1-5H3,(H,13,16)(H,14,15)
InChIKeyCIXOXBDSPBBJEF-UHFFFAOYSA-N
XLogP0.84
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-3,3-dimethyl-2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid
CID 104929128
3-(propan-2-yloxycarbonylsulfamoylamino)hexanoic acid
CID 114462997
propan-2-yl N-(butan-2-ylsulfamoyl)carbamate
CID 114463084
2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid
CID 114462104
4,4-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)pentanoic acid
CID 114806969
propan-2-yl N-(1-chlorobutan-2-ylsulfamoyl)carbamate
CID 114466308
propan-2-yl N-[(2,3-dihydroxy-2-methylpropyl)sulfamoyl]carbamate
CID 114464301
2-[[2-(propan-2-yloxycarbonylsulfamoylamino)acetyl]amino]acetic acid
CID 114462094
propan-2-yl N-[[(1S)-2-hydroxy-1-phenylethyl]sulfamoyl]carbamate
CID 107863552
propan-2-yl N-(ethoxysulfamoyl)carbamate
CID 114463121
propan-2-yl N-[(4-hydroxy-3-methylsulfanylbutan-2-yl)sulfamoyl]carbamate
CID 106157379
(2S)-2-hydroxy-3-(propan-2-yloxycarbonylsulfamoylamino)propanoic acid
CID 107835199

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-(propan-2-yloxycarbonylsulfamoylamino)pentanoic acid?
The IUPAC name of 4,4-dimethyl-3-(propan-2-yloxycarbonylsulfamoylamino)pentanoic acid (CID 114463001) is 4,4-dimethyl-3-(propan-2-yloxycarbonylsulfamoylamino)pentanoic acid.
What is the SMILES notation for 4,4-dimethyl-3-(propan-2-yloxycarbonylsulfamoylamino)pentanoic acid?
The canonical SMILES for 4,4-dimethyl-3-(propan-2-yloxycarbonylsulfamoylamino)pentanoic acid is CC(C)OC(=O)NS(=O)(=O)NC(CC(=O)O)C(C)(C)C.
What is the InChIKey of 4,4-dimethyl-3-(propan-2-yloxycarbonylsulfamoylamino)pentanoic acid?
The InChIKey is CIXOXBDSPBBJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O6S/c1-7(2)19-10(16)13-20(17,18)12-8(6-9(14)15)11(3,4)5/h7-8,12H,6H2,1-5H3,(H,13,16)(H,14,15).
What are the key properties of 4,4-dimethyl-3-(propan-2-yloxycarbonylsulfamoylamino)pentanoic acid?
4,4-dimethyl-3-(propan-2-yloxycarbonylsulfamoylamino)pentanoic acid has a molecular weight of 310.37 g/mol, XLogP of 0.84, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-(propan-2-yloxycarbonylsulfamoylamino)pentanoic acid is sourced from PubChem (CID 114463001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).