2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid

C8H16N2O6S — CID 114462104

IUPAC2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid
SMILESCCC(NS(=O)(=O)NC(=O)OC(C)C)C(=O)O
InChIInChI=1S/C8H16N2O6S/c1-4-6(7(11)12)9-17(14,15)10-8(13)16-5(2)3/h5-6,9H,4H2,1-3H3,(H,10,13)(H,11,12)
InChIKeyQDFVTGVOZNGKHQ-UHFFFAOYSA-N
MW268.29 g/mol
LogP-0.18
Rot. Bonds6

About 2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid

2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid (PubChem CID 114462104) has the molecular formula C8H16N2O6S and a molecular weight of 268.29 g/mol. Its IUPAC name is 2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid.

Molecular Properties

Compound Name2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid
PubChem CID114462104
Molecular FormulaC8H16N2O6S
Molecular Weight268.29 g/mol
Exact Mass268.07
IUPAC Name2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid
SMILESCCC(NS(=O)(=O)NC(=O)OC(C)C)C(=O)O
InChIInChI=1S/C8H16N2O6S/c1-4-6(7(11)12)9-17(14,15)10-8(13)16-5(2)3/h5-6,9H,4H2,1-3H3,(H,10,13)(H,11,12)
InChIKeyQDFVTGVOZNGKHQ-UHFFFAOYSA-N
XLogP-0.18
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl N-(butan-2-ylsulfamoyl)carbamate
CID 114463084
propan-2-yl N-(1-chlorobutan-2-ylsulfamoyl)carbamate
CID 114466308
2-[(propan-2-yloxycarbonylsulfamoylamino)methyl]butanoic acid
CID 114462771
(2S)-3,3-dimethyl-2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid
CID 104929128
3-(propan-2-yloxycarbonylsulfamoylamino)hexanoic acid
CID 114462997
propan-2-yl N-(ethoxysulfamoyl)carbamate
CID 114463121
(2S)-2-hydroxy-3-(propan-2-yloxycarbonylsulfamoylamino)propanoic acid
CID 107835199
4,4-dimethyl-3-(propan-2-yloxycarbonylsulfamoylamino)pentanoic acid
CID 114463001
2-(ethoxycarbonylsulfamoylamino)butanedioic acid
CID 114462931
propan-2-yl N-[(3-ethyl-2-hydroxypentyl)sulfamoyl]carbamate
CID 106288291
propan-2-yl N-[[(1S)-2-hydroxy-1-phenylethyl]sulfamoyl]carbamate
CID 107863552
propan-2-yl N-[(4-hydroxy-3-methylsulfanylbutan-2-yl)sulfamoyl]carbamate
CID 106157379

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid?
The IUPAC name of 2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid (CID 114462104) is 2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid.
What is the SMILES notation for 2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid?
The canonical SMILES for 2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid is CCC(NS(=O)(=O)NC(=O)OC(C)C)C(=O)O.
What is the InChIKey of 2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid?
The InChIKey is QDFVTGVOZNGKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O6S/c1-4-6(7(11)12)9-17(14,15)10-8(13)16-5(2)3/h5-6,9H,4H2,1-3H3,(H,10,13)(H,11,12).
What are the key properties of 2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid?
2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid has a molecular weight of 268.29 g/mol, XLogP of -0.18, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid is sourced from PubChem (CID 114462104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).