(2R)-2-amino-4-methylsulfanyl-N-(2-phenylpropan-2-yl)butanamide

C14H22N2OS — CID 114264096

IUPAC(2R)-2-amino-4-methylsulfanyl-N-(2-phenylpropan-2-yl)butanamide
SMILESCSCC[C@@H](N)C(=O)NC(C)(C)c1ccccc1
InChIInChI=1S/C14H22N2OS/c1-14(2,11-7-5-4-6-8-11)16-13(17)12(15)9-10-18-3/h4-8,12H,9-10,15H2,1-3H3,(H,16,17)/t12-/m1/s1
InChIKeyPEUJLBNLSHPMFC-GFCCVEGCSA-N
MW266.41 g/mol
LogP2.12
Rot. Bonds6

About (2R)-2-amino-4-methylsulfanyl-N-(2-phenylpropan-2-yl)butanamide

(2R)-2-amino-4-methylsulfanyl-N-(2-phenylpropan-2-yl)butanamide (PubChem CID 114264096) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is (2R)-2-amino-4-methylsulfanyl-N-(2-phenylpropan-2-yl)butanamide.

Molecular Properties

Compound Name(2R)-2-amino-4-methylsulfanyl-N-(2-phenylpropan-2-yl)butanamide
PubChem CID114264096
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name(2R)-2-amino-4-methylsulfanyl-N-(2-phenylpropan-2-yl)butanamide
SMILESCSCC[C@@H](N)C(=O)NC(C)(C)c1ccccc1
InChIInChI=1S/C14H22N2OS/c1-14(2,11-7-5-4-6-8-11)16-13(17)12(15)9-10-18-3/h4-8,12H,9-10,15H2,1-3H3,(H,16,17)/t12-/m1/s1
InChIKeyPEUJLBNLSHPMFC-GFCCVEGCSA-N
XLogP2.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(2-methyl-4-phenylbutan-2-yl)-4-methylsulfanylbutanamide
CID 104909056
(2S)-2-amino-N-(4-methyl-4-phenylpentan-2-yl)-4-methylsulfanylbutanamide;hydrochloride
CID 119307411
(2S)-2-amino-5-(diaminomethylideneamino)-N-(2-phenylpropan-2-yl)pentanamide
CID 139896055
(2S)-2-amino-N-(2,2-dimethyl-3-phenylpropyl)-4-methylsulfanylbutanamide
CID 119329650
3-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-3-methylbutanoic acid
CID 104908582
(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-2-phenylacetic acid
CID 104898570
(2R)-2-amino-N-(2-bromophenyl)-4-methylsulfanylbutanamide
CID 104906820
2-[2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]phenyl]acetic acid
CID 62535735
4-amino-5-[2-(4-bromophenyl)propan-2-ylamino]-5-oxopentanoic acid
CID 64896765
2-ethyl-N-(2-phenylpropan-2-yl)butanamide
CID 13142331
methyl 2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-2-methylpropanoate
CID 104907366
2-[[(2S)-2-aminopentanoyl]amino]-2-phenylpropanoic acid
CID 103870869

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methylsulfanyl-N-(2-phenylpropan-2-yl)butanamide?
The IUPAC name of (2R)-2-amino-4-methylsulfanyl-N-(2-phenylpropan-2-yl)butanamide (CID 114264096) is (2R)-2-amino-4-methylsulfanyl-N-(2-phenylpropan-2-yl)butanamide.
What is the SMILES notation for (2R)-2-amino-4-methylsulfanyl-N-(2-phenylpropan-2-yl)butanamide?
The canonical SMILES for (2R)-2-amino-4-methylsulfanyl-N-(2-phenylpropan-2-yl)butanamide is CSCC[C@@H](N)C(=O)NC(C)(C)c1ccccc1.
What is the InChIKey of (2R)-2-amino-4-methylsulfanyl-N-(2-phenylpropan-2-yl)butanamide?
The InChIKey is PEUJLBNLSHPMFC-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-14(2,11-7-5-4-6-8-11)16-13(17)12(15)9-10-18-3/h4-8,12H,9-10,15H2,1-3H3,(H,16,17)/t12-/m1/s1.
What are the key properties of (2R)-2-amino-4-methylsulfanyl-N-(2-phenylpropan-2-yl)butanamide?
(2R)-2-amino-4-methylsulfanyl-N-(2-phenylpropan-2-yl)butanamide has a molecular weight of 266.41 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-methylsulfanyl-N-(2-phenylpropan-2-yl)butanamide is sourced from PubChem (CID 114264096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).