methyl (2S)-2-amino-3-benzhydrylsulfanylpropanoate;hydrochloride

C17H20ClNO2S — CID 74889903

IUPACmethyl (2S)-2-amino-3-benzhydrylsulfanylpropanoate;hydrochloride
SMILESCOC(=O)[C@H](N)CSC(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C17H19NO2S.ClH/c1-20-17(19)15(18)12-21-16(13-8-4-2-5-9-13)14-10-6-3-7-11-14;/h2-11,15-16H,12,18H2,1H3;1H/t15-;/m1./s1
InChIKeyZYKFPEBBJHQAAR-XFULWGLBSA-N
MW337.87 g/mol
LogP3.43
Rot. Bonds6

About methyl (2S)-2-amino-3-benzhydrylsulfanylpropanoate;hydrochloride

methyl (2S)-2-amino-3-benzhydrylsulfanylpropanoate;hydrochloride (PubChem CID 74889903) has the molecular formula C17H20ClNO2S and a molecular weight of 337.87 g/mol. Its IUPAC name is methyl (2S)-2-amino-3-benzhydrylsulfanylpropanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (2S)-2-amino-3-benzhydrylsulfanylpropanoate;hydrochloride
PubChem CID74889903
Molecular FormulaC17H20ClNO2S
Molecular Weight337.87 g/mol
Exact Mass337.09
IUPAC Namemethyl (2S)-2-amino-3-benzhydrylsulfanylpropanoate;hydrochloride
SMILESCOC(=O)[C@H](N)CSC(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C17H19NO2S.ClH/c1-20-17(19)15(18)12-21-16(13-8-4-2-5-9-13)14-10-6-3-7-11-14;/h2-11,15-16H,12,18H2,1H3;1H/t15-;/m1./s1
InChIKeyZYKFPEBBJHQAAR-XFULWGLBSA-N
XLogP3.43
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.87
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2R)-2-amino-3-benzhydrylsulfanylpropanoyl]amino]acetic acid
CID 91976170
methyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 174427349
ethanol;methyl 2-amino-3-phenylpropanoate;hydrochloride
CID 174956794
acetyl chloride;methyl (2R)-2-amino-2-phenylacetate;hydrochloride
CID 161383135
methyl (2S)-2-amino-3-(1-phenylethoxy)propanoate
CID 67177747
methyl (2R)-2-amino-3-methylsulfanylpropanoate;hydrochloride
CID 2763147
2-aminobenzoic acid;methyl 2-amino-3-[(2-amino-3-methoxy-3-oxopropyl)disulfanyl]propanoate
CID 157317285
methyl (2R)-2-amino-2-(3-phenylphenyl)acetate;hydrochloride
CID 171234245
(2S)-2-amino-3-phenylpropanoic acid;methyl (2S)-2-amino-3-phenylpropanoate;hydrochloride
CID 70629808
methyl 2-amino-3-[(2-amino-3-methoxy-3-oxopropyl)disulfanyl]propanoate
CID 14043
(2R)-2-amino-3-phenylsulfanylpropanoic acid;hydrochloride
CID 13192756
methyl 3-phenylsulfanyl-2-(phenylsulfanylmethyl)propanoate
CID 13347330

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-3-benzhydrylsulfanylpropanoate;hydrochloride?
The IUPAC name of methyl (2S)-2-amino-3-benzhydrylsulfanylpropanoate;hydrochloride (CID 74889903) is methyl (2S)-2-amino-3-benzhydrylsulfanylpropanoate;hydrochloride.
What is the SMILES notation for methyl (2S)-2-amino-3-benzhydrylsulfanylpropanoate;hydrochloride?
The canonical SMILES for methyl (2S)-2-amino-3-benzhydrylsulfanylpropanoate;hydrochloride is COC(=O)[C@H](N)CSC(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of methyl (2S)-2-amino-3-benzhydrylsulfanylpropanoate;hydrochloride?
The InChIKey is ZYKFPEBBJHQAAR-XFULWGLBSA-N. The full InChI is InChI=1S/C17H19NO2S.ClH/c1-20-17(19)15(18)12-21-16(13-8-4-2-5-9-13)14-10-6-3-7-11-14;/h2-11,15-16H,12,18H2,1H3;1H/t15-;/m1./s1.
What are the key properties of methyl (2S)-2-amino-3-benzhydrylsulfanylpropanoate;hydrochloride?
methyl (2S)-2-amino-3-benzhydrylsulfanylpropanoate;hydrochloride has a molecular weight of 337.87 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-3-benzhydrylsulfanylpropanoate;hydrochloride is sourced from PubChem (CID 74889903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).