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

C11H24N2OS — CID 103461634

IUPAC(2R)-2-amino-N-(2,2-dimethylbutyl)-4-methylsulfanylbutanamide
SMILESCCC(C)(C)CNC(=O)[C@H](N)CCSC
InChIInChI=1S/C11H24N2OS/c1-5-11(2,3)8-13-10(14)9(12)6-7-15-4/h9H,5-8,12H2,1-4H3,(H,13,14)/t9-/m1/s1
InChIKeySHMQUVQYVUGLGU-SECBINFHSA-N
MW232.39 g/mol
LogP1.62
Rot. Bonds7

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

(2R)-2-amino-N-(2,2-dimethylbutyl)-4-methylsulfanylbutanamide (PubChem CID 103461634) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is (2R)-2-amino-N-(2,2-dimethylbutyl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2,2-dimethylbutyl)-4-methylsulfanylbutanamide
PubChem CID103461634
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC Name(2R)-2-amino-N-(2,2-dimethylbutyl)-4-methylsulfanylbutanamide
SMILESCCC(C)(C)CNC(=O)[C@H](N)CCSC
InChIInChI=1S/C11H24N2OS/c1-5-11(2,3)8-13-10(14)9(12)6-7-15-4/h9H,5-8,12H2,1-4H3,(H,13,14)/t9-/m1/s1
InChIKeySHMQUVQYVUGLGU-SECBINFHSA-N
XLogP1.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-4-methylsulfanylbutanamide
CID 106148043
2-amino-N-(2,2-dimethylbutyl)hexanamide
CID 103461638
(2S)-2-amino-N-(2-methyl-2-methylsulfonylpropyl)-4-methylsulfanylbutanamide
CID 79549856
2-amino-N-(2,2-dimethylbutyl)butanamide
CID 103461499
(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
ethyl 2-[(2-amino-4-methylsulfanylbutanoyl)amino]acetate
CID 5095988
(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
2-amino-N-(2,2-dimethylbutyl)-4-methylpentanamide
CID 103461635
(2S)-2-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119297358
(2S)-2-amino-N-[2-(carbamoylamino)ethyl]-4-methylsulfanylbutanamide
CID 81432984

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2,2-dimethylbutyl)-4-methylsulfanylbutanamide?
The IUPAC name of (2R)-2-amino-N-(2,2-dimethylbutyl)-4-methylsulfanylbutanamide (CID 103461634) is (2R)-2-amino-N-(2,2-dimethylbutyl)-4-methylsulfanylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(2,2-dimethylbutyl)-4-methylsulfanylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(2,2-dimethylbutyl)-4-methylsulfanylbutanamide is CCC(C)(C)CNC(=O)[C@H](N)CCSC.
What is the InChIKey of (2R)-2-amino-N-(2,2-dimethylbutyl)-4-methylsulfanylbutanamide?
The InChIKey is SHMQUVQYVUGLGU-SECBINFHSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-5-11(2,3)8-13-10(14)9(12)6-7-15-4/h9H,5-8,12H2,1-4H3,(H,13,14)/t9-/m1/s1.
What are the key properties of (2R)-2-amino-N-(2,2-dimethylbutyl)-4-methylsulfanylbutanamide?
(2R)-2-amino-N-(2,2-dimethylbutyl)-4-methylsulfanylbutanamide has a molecular weight of 232.39 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2,2-dimethylbutyl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 103461634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).