3-[tert-butylsulfonyl(cyclopropyl)amino]propanoic acid

C10H19NO4S — CID 63689523

IUPAC3-[tert-butylsulfonyl(cyclopropyl)amino]propanoic acid
SMILESCC(C)(C)S(=O)(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C10H19NO4S/c1-10(2,3)16(14,15)11(8-4-5-8)7-6-9(12)13/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeyQUZWBOHYOWVVTE-UHFFFAOYSA-N
MW249.33 g/mol
LogP1.05
Rot. Bonds5

About 3-[tert-butylsulfonyl(cyclopropyl)amino]propanoic acid

3-[tert-butylsulfonyl(cyclopropyl)amino]propanoic acid (PubChem CID 63689523) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is 3-[tert-butylsulfonyl(cyclopropyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[tert-butylsulfonyl(cyclopropyl)amino]propanoic acid
PubChem CID63689523
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name3-[tert-butylsulfonyl(cyclopropyl)amino]propanoic acid
SMILESCC(C)(C)S(=O)(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C10H19NO4S/c1-10(2,3)16(14,15)11(8-4-5-8)7-6-9(12)13/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeyQUZWBOHYOWVVTE-UHFFFAOYSA-N
XLogP1.05
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[Cyclopropyl(4,4,4-trifluorobutylsulfonyl)amino]propanoic acid
CID 83068100
2-Methyl-2-[methyl(propan-2-yl)sulfamoyl]propanoic acid
CID 59634229
3-[Ethyl(propylsulfonyl)amino]propanoic acid
CID 39245744
4-[Cyclopropyl(ethyl)sulfamoyl]butanoic acid
CID 43264092
3-[Cyclopropyl(ethyl)sulfamoyl]propanoic acid
CID 43264093
3-[Propan-2-yl(propyl)sulfamoyl]propanoic acid
CID 43269333
4-[Cyclopropyl(propyl)sulfamoyl]butanoic acid
CID 43270295
3-[Cyclopropyl(propyl)sulfamoyl]propanoic acid
CID 43270296
3-[Butan-2-yl(ethyl)sulfamoyl]propanoic acid
CID 43274424
3-[Cyclopropylmethyl(propyl)sulfamoyl]propanoic acid
CID 43588517
4-[Cyclopropyl(2-methylpropyl)sulfamoyl]butanoic acid
CID 54876225
3-[Cyclopropyl-[methyl(propan-2-yl)sulfamoyl]amino]propanoic acid
CID 54947356

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butylsulfonyl(cyclopropyl)amino]propanoic acid?
The IUPAC name of 3-[tert-butylsulfonyl(cyclopropyl)amino]propanoic acid (CID 63689523) is 3-[tert-butylsulfonyl(cyclopropyl)amino]propanoic acid.
What is the SMILES notation for 3-[tert-butylsulfonyl(cyclopropyl)amino]propanoic acid?
The canonical SMILES for 3-[tert-butylsulfonyl(cyclopropyl)amino]propanoic acid is CC(C)(C)S(=O)(=O)N(CCC(=O)O)C1CC1.
What is the InChIKey of 3-[tert-butylsulfonyl(cyclopropyl)amino]propanoic acid?
The InChIKey is QUZWBOHYOWVVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-10(2,3)16(14,15)11(8-4-5-8)7-6-9(12)13/h8H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 3-[tert-butylsulfonyl(cyclopropyl)amino]propanoic acid?
3-[tert-butylsulfonyl(cyclopropyl)amino]propanoic acid has a molecular weight of 249.33 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butylsulfonyl(cyclopropyl)amino]propanoic acid is sourced from PubChem (CID 63689523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).