(2R)-2-hydroxy-N-(2-methylsulfanylcyclobutyl)propanamide

C8H15NO2S — CID 130686309

IUPAC(2R)-2-hydroxy-N-(2-methylsulfanylcyclobutyl)propanamide
SMILESCSC1CCC1NC(=O)[C@@H](C)O
InChIInChI=1S/C8H15NO2S/c1-5(10)8(11)9-6-3-4-7(6)12-2/h5-7,10H,3-4H2,1-2H3,(H,9,11)/t5-,6?,7?/m1/s1
InChIKeyIARSWIQPUYVEJJ-GRQBKTHUSA-N
MW189.28 g/mol
LogP0.38
Rot. Bonds3

About (2R)-2-hydroxy-N-(2-methylsulfanylcyclobutyl)propanamide

(2R)-2-hydroxy-N-(2-methylsulfanylcyclobutyl)propanamide (PubChem CID 130686309) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is (2R)-2-hydroxy-N-(2-methylsulfanylcyclobutyl)propanamide.

Molecular Properties

Compound Name(2R)-2-hydroxy-N-(2-methylsulfanylcyclobutyl)propanamide
PubChem CID130686309
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name(2R)-2-hydroxy-N-(2-methylsulfanylcyclobutyl)propanamide
SMILESCSC1CCC1NC(=O)[C@@H](C)O
InChIInChI=1S/C8H15NO2S/c1-5(10)8(11)9-6-3-4-7(6)12-2/h5-7,10H,3-4H2,1-2H3,(H,9,11)/t5-,6?,7?/m1/s1
InChIKeyIARSWIQPUYVEJJ-GRQBKTHUSA-N
XLogP0.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-N-(2-methylsulfanylcyclobutyl)propanamide?
The IUPAC name of (2R)-2-hydroxy-N-(2-methylsulfanylcyclobutyl)propanamide (CID 130686309) is (2R)-2-hydroxy-N-(2-methylsulfanylcyclobutyl)propanamide.
What is the SMILES notation for (2R)-2-hydroxy-N-(2-methylsulfanylcyclobutyl)propanamide?
The canonical SMILES for (2R)-2-hydroxy-N-(2-methylsulfanylcyclobutyl)propanamide is CSC1CCC1NC(=O)[C@@H](C)O.
What is the InChIKey of (2R)-2-hydroxy-N-(2-methylsulfanylcyclobutyl)propanamide?
The InChIKey is IARSWIQPUYVEJJ-GRQBKTHUSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-5(10)8(11)9-6-3-4-7(6)12-2/h5-7,10H,3-4H2,1-2H3,(H,9,11)/t5-,6?,7?/m1/s1.
What are the key properties of (2R)-2-hydroxy-N-(2-methylsulfanylcyclobutyl)propanamide?
(2R)-2-hydroxy-N-(2-methylsulfanylcyclobutyl)propanamide has a molecular weight of 189.28 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-N-(2-methylsulfanylcyclobutyl)propanamide is sourced from PubChem (CID 130686309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).