2-(1-aminopropan-2-ylsulfanyl)cyclobutane-1-carboxylic acid

C8H15NO2S — CID 80997344

IUPAC2-(1-aminopropan-2-ylsulfanyl)cyclobutane-1-carboxylic acid
SMILESCC(CN)SC1CCC1C(=O)O
InChIInChI=1S/C8H15NO2S/c1-5(4-9)12-7-3-2-6(7)8(10)11/h5-7H,2-4,9H2,1H3,(H,10,11)
InChIKeyWCRNSTGOWJSJFE-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.93
Rot. Bonds4

About 2-(1-aminopropan-2-ylsulfanyl)cyclobutane-1-carboxylic acid

2-(1-aminopropan-2-ylsulfanyl)cyclobutane-1-carboxylic acid (PubChem CID 80997344) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is 2-(1-aminopropan-2-ylsulfanyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-(1-aminopropan-2-ylsulfanyl)cyclobutane-1-carboxylic acid
PubChem CID80997344
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name2-(1-aminopropan-2-ylsulfanyl)cyclobutane-1-carboxylic acid
SMILESCC(CN)SC1CCC1C(=O)O
InChIInChI=1S/C8H15NO2S/c1-5(4-9)12-7-3-2-6(7)8(10)11/h5-7H,2-4,9H2,1H3,(H,10,11)
InChIKeyWCRNSTGOWJSJFE-UHFFFAOYSA-N
XLogP0.93
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropan-2-ylsulfanyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 2-(1-aminopropan-2-ylsulfanyl)cyclobutane-1-carboxylic acid (CID 80997344) is 2-(1-aminopropan-2-ylsulfanyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-(1-aminopropan-2-ylsulfanyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-(1-aminopropan-2-ylsulfanyl)cyclobutane-1-carboxylic acid is CC(CN)SC1CCC1C(=O)O.
What is the InChIKey of 2-(1-aminopropan-2-ylsulfanyl)cyclobutane-1-carboxylic acid?
The InChIKey is WCRNSTGOWJSJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-5(4-9)12-7-3-2-6(7)8(10)11/h5-7H,2-4,9H2,1H3,(H,10,11).
What are the key properties of 2-(1-aminopropan-2-ylsulfanyl)cyclobutane-1-carboxylic acid?
2-(1-aminopropan-2-ylsulfanyl)cyclobutane-1-carboxylic acid has a molecular weight of 189.28 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropan-2-ylsulfanyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 80997344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).