ethyl (2R,4S)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate;hydrochloride

C20H26ClNO2 — CID 25017086

IUPACethyl (2R,4S)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate;hydrochloride
SMILESCCOC(=O)[C@H](C)C[C@H](N)Cc1ccc(-c2ccccc2)cc1.Cl
InChIInChI=1S/C20H25NO2.ClH/c1-3-23-20(22)15(2)13-19(21)14-16-9-11-18(12-10-16)17-7-5-4-6-8-17;/h4-12,15,19H,3,13-14,21H2,1-2H3;1H/t15-,19+;/m1./s1
InChIKeyMYJTZLYRAWUSLB-WSCVZUBPSA-N
MW347.89 g/mol
LogP4.23
Rot. Bonds7

About ethyl (2R,4S)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate;hydrochloride

ethyl (2R,4S)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate;hydrochloride (PubChem CID 25017086) has the molecular formula C20H26ClNO2 and a molecular weight of 347.89 g/mol. Its IUPAC name is ethyl (2R,4S)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate;hydrochloride.

Molecular Properties

Compound Nameethyl (2R,4S)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate;hydrochloride
PubChem CID25017086
Molecular FormulaC20H26ClNO2
Molecular Weight347.89 g/mol
Exact Mass347.17
IUPAC Nameethyl (2R,4S)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate;hydrochloride
SMILESCCOC(=O)[C@H](C)C[C@H](N)Cc1ccc(-c2ccccc2)cc1.Cl
InChIInChI=1S/C20H25NO2.ClH/c1-3-23-20(22)15(2)13-19(21)14-16-9-11-18(12-10-16)17-7-5-4-6-8-17;/h4-12,15,19H,3,13-14,21H2,1-2H3;1H/t15-,19+;/m1./s1
InChIKeyMYJTZLYRAWUSLB-WSCVZUBPSA-N
XLogP4.23
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.89
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 9811834
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(R)-Ethyl 3-(4'-(2-(2-Methylpyrrolidin-1-yl)ethyl)biphenyl-4-yl)propanoate
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Ethyl L-phenylalaninate hydrochloride
CID 165085
ethyl (3S,4R)-3-phenylpiperidine-4-carboxylate
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Ethyl 4-(4-phenylphenyl)piperidine-4-carboxylate;hydrochloride
CID 52947544
Ethyl beta-amino-4-fluoro-alpha-(1-methylethyl)benzenebutanoate
CID 4327971
Ethyl 3-amino-3-(4-methylphenyl)propanoate
CID 577817
Phenylalanine, ethyl ester, hydrochloride (1:1)
CID 11333687
Win-5786
CID 46657

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,4S)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate;hydrochloride?
The IUPAC name of ethyl (2R,4S)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate;hydrochloride (CID 25017086) is ethyl (2R,4S)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate;hydrochloride.
What is the SMILES notation for ethyl (2R,4S)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate;hydrochloride?
The canonical SMILES for ethyl (2R,4S)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate;hydrochloride is CCOC(=O)[C@H](C)C[C@H](N)Cc1ccc(-c2ccccc2)cc1.Cl.
What is the InChIKey of ethyl (2R,4S)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate;hydrochloride?
The InChIKey is MYJTZLYRAWUSLB-WSCVZUBPSA-N. The full InChI is InChI=1S/C20H25NO2.ClH/c1-3-23-20(22)15(2)13-19(21)14-16-9-11-18(12-10-16)17-7-5-4-6-8-17;/h4-12,15,19H,3,13-14,21H2,1-2H3;1H/t15-,19+;/m1./s1.
What are the key properties of ethyl (2R,4S)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate;hydrochloride?
ethyl (2R,4S)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate;hydrochloride has a molecular weight of 347.89 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,4S)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate;hydrochloride is sourced from PubChem (CID 25017086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).