(2S)-2-amino-N-(2-ethyl-2-hydroxybutyl)-4-methylsulfanylbutanamide

C11H24N2O2S — CID 65106066

IUPAC(2S)-2-amino-N-(2-ethyl-2-hydroxybutyl)-4-methylsulfanylbutanamide
SMILESCCC(O)(CC)CNC(=O)[C@@H](N)CCSC
InChIInChI=1S/C11H24N2O2S/c1-4-11(15,5-2)8-13-10(14)9(12)6-7-16-3/h9,15H,4-8,12H2,1-3H3,(H,13,14)/t9-/m0/s1
InChIKeyQLZRYKKIKFYRJQ-VIFPVBQESA-N
MW248.39 g/mol
LogP0.73
Rot. Bonds8

About (2S)-2-amino-N-(2-ethyl-2-hydroxybutyl)-4-methylsulfanylbutanamide

(2S)-2-amino-N-(2-ethyl-2-hydroxybutyl)-4-methylsulfanylbutanamide (PubChem CID 65106066) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-ethyl-2-hydroxybutyl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-ethyl-2-hydroxybutyl)-4-methylsulfanylbutanamide
PubChem CID65106066
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name(2S)-2-amino-N-(2-ethyl-2-hydroxybutyl)-4-methylsulfanylbutanamide
SMILESCCC(O)(CC)CNC(=O)[C@@H](N)CCSC
InChIInChI=1S/C11H24N2O2S/c1-4-11(15,5-2)8-13-10(14)9(12)6-7-16-3/h9,15H,4-8,12H2,1-3H3,(H,13,14)/t9-/m0/s1
InChIKeyQLZRYKKIKFYRJQ-VIFPVBQESA-N
XLogP0.73
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-ethyl-2-hydroxybutyl)-4-methylsulfanylbutanamide?
The IUPAC name of (2S)-2-amino-N-(2-ethyl-2-hydroxybutyl)-4-methylsulfanylbutanamide (CID 65106066) is (2S)-2-amino-N-(2-ethyl-2-hydroxybutyl)-4-methylsulfanylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-ethyl-2-hydroxybutyl)-4-methylsulfanylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(2-ethyl-2-hydroxybutyl)-4-methylsulfanylbutanamide is CCC(O)(CC)CNC(=O)[C@@H](N)CCSC.
What is the InChIKey of (2S)-2-amino-N-(2-ethyl-2-hydroxybutyl)-4-methylsulfanylbutanamide?
The InChIKey is QLZRYKKIKFYRJQ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-4-11(15,5-2)8-13-10(14)9(12)6-7-16-3/h9,15H,4-8,12H2,1-3H3,(H,13,14)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-ethyl-2-hydroxybutyl)-4-methylsulfanylbutanamide?
(2S)-2-amino-N-(2-ethyl-2-hydroxybutyl)-4-methylsulfanylbutanamide has a molecular weight of 248.39 g/mol, XLogP of 0.73, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-ethyl-2-hydroxybutyl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 65106066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).