methyl (2S)-2-amino-3-(4-phenylphenyl)propanoate;hydrochloride

C16H18ClNO2 — CID 45357110

IUPACmethyl (2S)-2-amino-3-(4-phenylphenyl)propanoate;hydrochloride
SMILESCOC(=O)[C@@H](N)Cc1ccc(-c2ccccc2)cc1.Cl
InChIInChI=1S/C16H17NO2.ClH/c1-19-16(18)15(17)11-12-7-9-14(10-8-12)13-5-3-2-4-6-13;/h2-10,15H,11,17H2,1H3;1H/t15-;/m0./s1
InChIKeyRYYDMSMPNITDHP-RSAXXLAASA-N
MW291.78 g/mol
LogP2.82
Rot. Bonds4

About methyl (2S)-2-amino-3-(4-phenylphenyl)propanoate;hydrochloride

methyl (2S)-2-amino-3-(4-phenylphenyl)propanoate;hydrochloride (PubChem CID 45357110) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is methyl (2S)-2-amino-3-(4-phenylphenyl)propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (2S)-2-amino-3-(4-phenylphenyl)propanoate;hydrochloride
PubChem CID45357110
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Namemethyl (2S)-2-amino-3-(4-phenylphenyl)propanoate;hydrochloride
SMILESCOC(=O)[C@@H](N)Cc1ccc(-c2ccccc2)cc1.Cl
InChIInChI=1S/C16H17NO2.ClH/c1-19-16(18)15(17)11-12-7-9-14(10-8-12)13-5-3-2-4-6-13;/h2-10,15H,11,17H2,1H3;1H/t15-;/m0./s1
InChIKeyRYYDMSMPNITDHP-RSAXXLAASA-N
XLogP2.82
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-3-(4-phenylphenyl)propanoate;hydrochloride?
The IUPAC name of methyl (2S)-2-amino-3-(4-phenylphenyl)propanoate;hydrochloride (CID 45357110) is methyl (2S)-2-amino-3-(4-phenylphenyl)propanoate;hydrochloride.
What is the SMILES notation for methyl (2S)-2-amino-3-(4-phenylphenyl)propanoate;hydrochloride?
The canonical SMILES for methyl (2S)-2-amino-3-(4-phenylphenyl)propanoate;hydrochloride is COC(=O)[C@@H](N)Cc1ccc(-c2ccccc2)cc1.Cl.
What is the InChIKey of methyl (2S)-2-amino-3-(4-phenylphenyl)propanoate;hydrochloride?
The InChIKey is RYYDMSMPNITDHP-RSAXXLAASA-N. The full InChI is InChI=1S/C16H17NO2.ClH/c1-19-16(18)15(17)11-12-7-9-14(10-8-12)13-5-3-2-4-6-13;/h2-10,15H,11,17H2,1H3;1H/t15-;/m0./s1.
What are the key properties of methyl (2S)-2-amino-3-(4-phenylphenyl)propanoate;hydrochloride?
methyl (2S)-2-amino-3-(4-phenylphenyl)propanoate;hydrochloride has a molecular weight of 291.78 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-3-(4-phenylphenyl)propanoate;hydrochloride is sourced from PubChem (CID 45357110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).