3-methyl-3-(propan-2-ylsulfamoylamino)butanoic acid

C8H18N2O4S — CID 114806347

IUPAC3-methyl-3-(propan-2-ylsulfamoylamino)butanoic acid
SMILESCC(C)NS(=O)(=O)NC(C)(C)CC(=O)O
InChIInChI=1S/C8H18N2O4S/c1-6(2)9-15(13,14)10-8(3,4)5-7(11)12/h6,9-10H,5H2,1-4H3,(H,11,12)
InChIKeyXREIIUDIXVLRQN-UHFFFAOYSA-N
MW238.31 g/mol
LogP0.07
Rot. Bonds6

About 3-methyl-3-(propan-2-ylsulfamoylamino)butanoic acid

3-methyl-3-(propan-2-ylsulfamoylamino)butanoic acid (PubChem CID 114806347) has the molecular formula C8H18N2O4S and a molecular weight of 238.31 g/mol. Its IUPAC name is 3-methyl-3-(propan-2-ylsulfamoylamino)butanoic acid.

Molecular Properties

Compound Name3-methyl-3-(propan-2-ylsulfamoylamino)butanoic acid
PubChem CID114806347
Molecular FormulaC8H18N2O4S
Molecular Weight238.31 g/mol
Exact Mass238.10
IUPAC Name3-methyl-3-(propan-2-ylsulfamoylamino)butanoic acid
SMILESCC(C)NS(=O)(=O)NC(C)(C)CC(=O)O
InChIInChI=1S/C8H18N2O4S/c1-6(2)9-15(13,14)10-8(3,4)5-7(11)12/h6,9-10H,5H2,1-4H3,(H,11,12)
InChIKeyXREIIUDIXVLRQN-UHFFFAOYSA-N
XLogP0.07
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-3-(propan-2-ylsulfonylamino)butanoic acid
CID 64701537
5,5-dimethyl-3-(propan-2-ylsulfamoylamino)hexanoic acid
CID 114807123
3-methyl-3-(2-propan-2-yloxyethylsulfonylamino)butanoic acid
CID 79594198
3-(benzylsulfonylamino)-3-methylbutanoic acid
CID 64700945
(2R)-2-(tert-butylsulfamoylamino)butanedioic acid
CID 104977979
methyl 2-methyl-2-(propan-2-ylsulfamoylamino)pentanoate
CID 114811481
3-(3-aminobutanoylamino)-3-methylbutanoic acid
CID 64684104
3-methyl-3-(pentan-2-ylamino)butanoic acid
CID 107886489
2-cyclopropyl-2-N-(propan-2-ylsulfamoyl)propane-1,2-diamine
CID 114811253
2-(propan-2-ylsulfamoyloxy)acetic acid
CID 19834552
(2R)-4-methyl-2-(propan-2-ylsulfamoylamino)pentanoic acid
CID 104977908
3,3-dimethyl-5-oxo-5-(propan-2-ylamino)pentanoic acid
CID 58727729

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(propan-2-ylsulfamoylamino)butanoic acid?
The IUPAC name of 3-methyl-3-(propan-2-ylsulfamoylamino)butanoic acid (CID 114806347) is 3-methyl-3-(propan-2-ylsulfamoylamino)butanoic acid.
What is the SMILES notation for 3-methyl-3-(propan-2-ylsulfamoylamino)butanoic acid?
The canonical SMILES for 3-methyl-3-(propan-2-ylsulfamoylamino)butanoic acid is CC(C)NS(=O)(=O)NC(C)(C)CC(=O)O.
What is the InChIKey of 3-methyl-3-(propan-2-ylsulfamoylamino)butanoic acid?
The InChIKey is XREIIUDIXVLRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4S/c1-6(2)9-15(13,14)10-8(3,4)5-7(11)12/h6,9-10H,5H2,1-4H3,(H,11,12).
What are the key properties of 3-methyl-3-(propan-2-ylsulfamoylamino)butanoic acid?
3-methyl-3-(propan-2-ylsulfamoylamino)butanoic acid has a molecular weight of 238.31 g/mol, XLogP of 0.07, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(propan-2-ylsulfamoylamino)butanoic acid is sourced from PubChem (CID 114806347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).