methyl (2S)-2-amino-3-[2-(2-ethylphenyl)phenyl]propanoate

C18H21NO2 — CID 90931571

IUPACmethyl (2S)-2-amino-3-[2-(2-ethylphenyl)phenyl]propanoate
SMILESCCc1ccccc1-c1ccccc1C[C@H](N)C(=O)OC
InChIInChI=1S/C18H21NO2/c1-3-13-8-4-6-10-15(13)16-11-7-5-9-14(16)12-17(19)18(20)21-2/h4-11,17H,3,12,19H2,1-2H3/t17-/m0/s1
InChIKeyRENHWOFRPCIXSO-KRWDZBQOSA-N
MW283.37 g/mol
LogP2.96
Rot. Bonds5

About methyl (2S)-2-amino-3-[2-(2-ethylphenyl)phenyl]propanoate

methyl (2S)-2-amino-3-[2-(2-ethylphenyl)phenyl]propanoate (PubChem CID 90931571) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is methyl (2S)-2-amino-3-[2-(2-ethylphenyl)phenyl]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-amino-3-[2-(2-ethylphenyl)phenyl]propanoate
PubChem CID90931571
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Namemethyl (2S)-2-amino-3-[2-(2-ethylphenyl)phenyl]propanoate
SMILESCCc1ccccc1-c1ccccc1C[C@H](N)C(=O)OC
InChIInChI=1S/C18H21NO2/c1-3-13-8-4-6-10-15(13)16-11-7-5-9-14(16)12-17(19)18(20)21-2/h4-11,17H,3,12,19H2,1-2H3/t17-/m0/s1
InChIKeyRENHWOFRPCIXSO-KRWDZBQOSA-N
XLogP2.96
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-amino-3-(2-iodophenyl)propanoate
CID 20706036
methyl 4-[2-(2-amino-3-methoxy-3-oxopropyl)phenyl]benzoate
CID 170884039
methyl (2S)-2-amino-3-(2-methoxyphenyl)propanoate
CID 10703616
methyl (2S)-2-amino-3-naphthalen-1-ylpropanoate
CID 18714238
methyl 2-[(2S)-2-amino-3-methoxy-3-oxopropyl]benzoate
CID 171238353
methyl 2-[(2R)-2-amino-3-methoxy-3-oxopropyl]benzoate
CID 151281011
methyl (2R)-2-amino-3-(2-fluorophenyl)propanoate;hydrochloride
CID 69489037
methyl (2S)-2-amino-3-[2-(difluoromethyl)phenyl]propanoate
CID 171238597
methyl (2R)-2-amino-3-[2-(cyclopropylmethyl)phenyl]propanoate
CID 143152114
methyl (2S)-2-amino-3-(2-fluoro-3-methylphenyl)propanoate
CID 171238438
methyl 2-amino-3-[2-[bis(2-chloroethyl)aminomethyl]phenyl]propanoate
CID 123870949
methyl (2S)-2-amino-3-(2-nitrophenyl)propanoate;hydrochloride
CID 67675952

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-3-[2-(2-ethylphenyl)phenyl]propanoate?
The IUPAC name of methyl (2S)-2-amino-3-[2-(2-ethylphenyl)phenyl]propanoate (CID 90931571) is methyl (2S)-2-amino-3-[2-(2-ethylphenyl)phenyl]propanoate.
What is the SMILES notation for methyl (2S)-2-amino-3-[2-(2-ethylphenyl)phenyl]propanoate?
The canonical SMILES for methyl (2S)-2-amino-3-[2-(2-ethylphenyl)phenyl]propanoate is CCc1ccccc1-c1ccccc1C[C@H](N)C(=O)OC.
What is the InChIKey of methyl (2S)-2-amino-3-[2-(2-ethylphenyl)phenyl]propanoate?
The InChIKey is RENHWOFRPCIXSO-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H21NO2/c1-3-13-8-4-6-10-15(13)16-11-7-5-9-14(16)12-17(19)18(20)21-2/h4-11,17H,3,12,19H2,1-2H3/t17-/m0/s1.
What are the key properties of methyl (2S)-2-amino-3-[2-(2-ethylphenyl)phenyl]propanoate?
methyl (2S)-2-amino-3-[2-(2-ethylphenyl)phenyl]propanoate has a molecular weight of 283.37 g/mol, XLogP of 2.96, 5 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-[2-(2-ethylphenyl)phenyl]propanoate is sourced from PubChem (CID 90931571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).