(2R)-2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-4-methylsulfanylbutanamide

C11H24N2O2S — CID 106148043

IUPAC(2R)-2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](N)C(=O)NCC(C)(C)CCO
InChIInChI=1S/C11H24N2O2S/c1-11(2,5-6-14)8-13-10(15)9(12)4-7-16-3/h9,14H,4-8,12H2,1-3H3,(H,13,15)/t9-/m1/s1
InChIKeyFYLVWTDHWWEEOD-SECBINFHSA-N
MW248.39 g/mol
LogP0.59
Rot. Bonds8

About (2R)-2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-4-methylsulfanylbutanamide

(2R)-2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-4-methylsulfanylbutanamide (PubChem CID 106148043) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is (2R)-2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-4-methylsulfanylbutanamide
PubChem CID106148043
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name(2R)-2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](N)C(=O)NCC(C)(C)CCO
InChIInChI=1S/C11H24N2O2S/c1-11(2,5-6-14)8-13-10(15)9(12)4-7-16-3/h9,14H,4-8,12H2,1-3H3,(H,13,15)/t9-/m1/s1
InChIKeyFYLVWTDHWWEEOD-SECBINFHSA-N
XLogP0.59
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 ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-(2,2-dimethylbutyl)-4-methylsulfanylbutanamide
CID 103461634
(2S)-2-amino-N-(2-methyl-2-methylsulfonylpropyl)-4-methylsulfanylbutanamide
CID 79549856
(2S)-2-amino-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride
CID 119290996
(2S)-2-amino-N-(2,2-dimethyl-3-phenylpropyl)-4-methylsulfanylbutanamide
CID 119329650
2-(ethylsulfonylamino)-N-(4-hydroxy-2,2-dimethylbutyl)-4-methylsulfanylbutanamide
CID 103825245
(2S)-2-amino-4-methylsulfanyl-N-(2-methylsulfanylethyl)butanamide
CID 63959512
4-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66003561
(2S)-2-amino-N-[2-(carbamoylamino)ethyl]-4-methylsulfanylbutanamide
CID 81432984
(2R)-2-amino-N-[(2S)-2-hydroxypropyl]-4-methylsulfanylbutanamide
CID 96904293
2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-3-methylbutanamide
CID 106147902
ethyl 2-[(2-amino-4-methylsulfanylbutanoyl)amino]acetate
CID 5095988
(2S)-2-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119343091

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-4-methylsulfanylbutanamide?
The IUPAC name of (2R)-2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-4-methylsulfanylbutanamide (CID 106148043) is (2R)-2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-4-methylsulfanylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-4-methylsulfanylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-4-methylsulfanylbutanamide is CSCC[C@@H](N)C(=O)NCC(C)(C)CCO.
What is the InChIKey of (2R)-2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-4-methylsulfanylbutanamide?
The InChIKey is FYLVWTDHWWEEOD-SECBINFHSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-11(2,5-6-14)8-13-10(15)9(12)4-7-16-3/h9,14H,4-8,12H2,1-3H3,(H,13,15)/t9-/m1/s1.
What are the key properties of (2R)-2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-4-methylsulfanylbutanamide?
(2R)-2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-4-methylsulfanylbutanamide has a molecular weight of 248.39 g/mol, XLogP of 0.59, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 106148043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).