(3R)-3-amino-2-hydroxy-5-methylsulfanyl-N-(2-phenylethyl)pentanamide;hydrochloride

C14H23ClN2O2S — CID 141016956

IUPAC(3R)-3-amino-2-hydroxy-5-methylsulfanyl-N-(2-phenylethyl)pentanamide;hydrochloride
SMILESCSCC[C@@H](N)C(O)C(=O)NCCc1ccccc1.Cl
InChIInChI=1S/C14H22N2O2S.ClH/c1-19-10-8-12(15)13(17)14(18)16-9-7-11-5-3-2-4-6-11;/h2-6,12-13,17H,7-10,15H2,1H3,(H,16,18);1H/t12-,13?;/m1./s1
InChIKeyOXRVZCDRRNJAHE-QPWPOBFOSA-N
MW318.87 g/mol
LogP1.21
Rot. Bonds8

About (3R)-3-amino-2-hydroxy-5-methylsulfanyl-N-(2-phenylethyl)pentanamide;hydrochloride

(3R)-3-amino-2-hydroxy-5-methylsulfanyl-N-(2-phenylethyl)pentanamide;hydrochloride (PubChem CID 141016956) has the molecular formula C14H23ClN2O2S and a molecular weight of 318.87 g/mol. Its IUPAC name is (3R)-3-amino-2-hydroxy-5-methylsulfanyl-N-(2-phenylethyl)pentanamide;hydrochloride.

Molecular Properties

Compound Name(3R)-3-amino-2-hydroxy-5-methylsulfanyl-N-(2-phenylethyl)pentanamide;hydrochloride
PubChem CID141016956
Molecular FormulaC14H23ClN2O2S
Molecular Weight318.87 g/mol
Exact Mass318.12
IUPAC Name(3R)-3-amino-2-hydroxy-5-methylsulfanyl-N-(2-phenylethyl)pentanamide;hydrochloride
SMILESCSCC[C@@H](N)C(O)C(=O)NCCc1ccccc1.Cl
InChIInChI=1S/C14H22N2O2S.ClH/c1-19-10-8-12(15)13(17)14(18)16-9-7-11-5-3-2-4-6-11;/h2-6,12-13,17H,7-10,15H2,1H3,(H,16,18);1H/t12-,13?;/m1./s1
InChIKeyOXRVZCDRRNJAHE-QPWPOBFOSA-N
XLogP1.21
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.87
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-amino-2-hydroxy-5-methylsulfanyl-N-[2-(4-phenoxyphenyl)ethyl]pentanamide;hydrochloride
CID 70064787
3-amino-2-hydroxy-5-methylsulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide;hydrochloride
CID 142647877
(3S)-3-amino-2-hydroxy-4-phenyl-N-(2-phenylethyl)butanamide;2,2,2-trifluoroacetic acid
CID 11849655
(2S)-2-amino-N-[2-(3-methylphenyl)ethyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119301513
(2S)-2-amino-N-(4-methylsulfanylbutan-2-yl)-4-phenylbutanamide
CID 104984814
(2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 21308260
(2R)-2-(methylamino)-4-methylsulfanyl-N-(3-phenylpropyl)butanamide;hydrochloride
CID 158413388
ethyl 3-[(3-amino-2-hydroxy-5-methylsulfanylpentanoyl)amino]propanoate;hydrochloride
CID 142647874
(3S)-3-amino-6-[[amino(nitramido)methylidene]amino]-2-hydroxy-N-(2-phenylethyl)hexanamide
CID 11439567
3-amino-2-hydroxy-5-phenylpentanoic acid
CID 22182665
2-methyl-N-(2-phenylethyl)propanamide;dihydrochloride
CID 174557988
(2S)-2-amino-3,3-dimethyl-N-(2-phenylethyl)butanamide;hydrochloride
CID 119670070

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-2-hydroxy-5-methylsulfanyl-N-(2-phenylethyl)pentanamide;hydrochloride?
The IUPAC name of (3R)-3-amino-2-hydroxy-5-methylsulfanyl-N-(2-phenylethyl)pentanamide;hydrochloride (CID 141016956) is (3R)-3-amino-2-hydroxy-5-methylsulfanyl-N-(2-phenylethyl)pentanamide;hydrochloride.
What is the SMILES notation for (3R)-3-amino-2-hydroxy-5-methylsulfanyl-N-(2-phenylethyl)pentanamide;hydrochloride?
The canonical SMILES for (3R)-3-amino-2-hydroxy-5-methylsulfanyl-N-(2-phenylethyl)pentanamide;hydrochloride is CSCC[C@@H](N)C(O)C(=O)NCCc1ccccc1.Cl.
What is the InChIKey of (3R)-3-amino-2-hydroxy-5-methylsulfanyl-N-(2-phenylethyl)pentanamide;hydrochloride?
The InChIKey is OXRVZCDRRNJAHE-QPWPOBFOSA-N. The full InChI is InChI=1S/C14H22N2O2S.ClH/c1-19-10-8-12(15)13(17)14(18)16-9-7-11-5-3-2-4-6-11;/h2-6,12-13,17H,7-10,15H2,1H3,(H,16,18);1H/t12-,13?;/m1./s1.
What are the key properties of (3R)-3-amino-2-hydroxy-5-methylsulfanyl-N-(2-phenylethyl)pentanamide;hydrochloride?
(3R)-3-amino-2-hydroxy-5-methylsulfanyl-N-(2-phenylethyl)pentanamide;hydrochloride has a molecular weight of 318.87 g/mol, XLogP of 1.21, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-2-hydroxy-5-methylsulfanyl-N-(2-phenylethyl)pentanamide;hydrochloride is sourced from PubChem (CID 141016956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).