3-[(1-amino-3-methylbutan-2-yl)sulfamoyl]propanoic acid

C8H18N2O4S — CID 65192775

IUPAC3-[(1-amino-3-methylbutan-2-yl)sulfamoyl]propanoic acid
SMILESCC(C)C(CN)NS(=O)(=O)CCC(=O)O
InChIInChI=1S/C8H18N2O4S/c1-6(2)7(5-9)10-15(13,14)4-3-8(11)12/h6-7,10H,3-5,9H2,1-2H3,(H,11,12)
InChIKeyUWRDMSBNLFXPSP-UHFFFAOYSA-N
MW238.31 g/mol
LogP-0.64
Rot. Bonds7

About 3-[(1-amino-3-methylbutan-2-yl)sulfamoyl]propanoic acid

3-[(1-amino-3-methylbutan-2-yl)sulfamoyl]propanoic acid (PubChem CID 65192775) has the molecular formula C8H18N2O4S and a molecular weight of 238.31 g/mol. Its IUPAC name is 3-[(1-amino-3-methylbutan-2-yl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[(1-amino-3-methylbutan-2-yl)sulfamoyl]propanoic acid
PubChem CID65192775
Molecular FormulaC8H18N2O4S
Molecular Weight238.31 g/mol
Exact Mass238.10
IUPAC Name3-[(1-amino-3-methylbutan-2-yl)sulfamoyl]propanoic acid
SMILESCC(C)C(CN)NS(=O)(=O)CCC(=O)O
InChIInChI=1S/C8H18N2O4S/c1-6(2)7(5-9)10-15(13,14)4-3-8(11)12/h6-7,10H,3-5,9H2,1-2H3,(H,11,12)
InChIKeyUWRDMSBNLFXPSP-UHFFFAOYSA-N
XLogP-0.64
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 43209514
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CID 43716066
3-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]propanoic acid
CID 102903683
2-(2-methylpentan-3-ylsulfamoyl)acetic acid
CID 61469735
3-(2-hydroxypropylsulfamoyl)propanoic acid
CID 43499066
N-(1-amino-4-methylpentan-3-yl)propane-1-sulfonamide
CID 106357404
4-(3,3-dimethylbutan-2-ylsulfamoyl)butanoic acid
CID 104827551
3-(1-pyrrolidin-1-ylpropan-2-ylsulfamoyl)propanoic acid
CID 61472996
3-[[(1S)-1-(4-methylphenyl)ethyl]sulfamoyl]propanoic acid
CID 81350145
N-(2-methylpentan-3-yl)propane-1-sulfonamide
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3-(4-phenylbutan-2-ylsulfamoyl)propanoic acid
CID 43361780

Frequently Asked Questions

What is the IUPAC name of 3-[(1-amino-3-methylbutan-2-yl)sulfamoyl]propanoic acid?
The IUPAC name of 3-[(1-amino-3-methylbutan-2-yl)sulfamoyl]propanoic acid (CID 65192775) is 3-[(1-amino-3-methylbutan-2-yl)sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[(1-amino-3-methylbutan-2-yl)sulfamoyl]propanoic acid?
The canonical SMILES for 3-[(1-amino-3-methylbutan-2-yl)sulfamoyl]propanoic acid is CC(C)C(CN)NS(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-[(1-amino-3-methylbutan-2-yl)sulfamoyl]propanoic acid?
The InChIKey is UWRDMSBNLFXPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4S/c1-6(2)7(5-9)10-15(13,14)4-3-8(11)12/h6-7,10H,3-5,9H2,1-2H3,(H,11,12).
What are the key properties of 3-[(1-amino-3-methylbutan-2-yl)sulfamoyl]propanoic acid?
3-[(1-amino-3-methylbutan-2-yl)sulfamoyl]propanoic acid has a molecular weight of 238.31 g/mol, XLogP of -0.64, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-amino-3-methylbutan-2-yl)sulfamoyl]propanoic acid is sourced from PubChem (CID 65192775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).