ethyl (2S)-2-(aminomethyl)-2-(3-methoxyphenyl)-3-phenylpropanoate

C19H23NO3 — CID 124561920

IUPACethyl (2S)-2-(aminomethyl)-2-(3-methoxyphenyl)-3-phenylpropanoate
SMILESCCOC(=O)[C@@](CN)(Cc1ccccc1)c1cccc(OC)c1
InChIInChI=1S/C19H23NO3/c1-3-23-18(21)19(14-20,13-15-8-5-4-6-9-15)16-10-7-11-17(12-16)22-2/h4-12H,3,13-14,20H2,1-2H3/t19-/m1/s1
InChIKeyXBKSFHNOIWJPLR-LJQANCHMSA-N
MW313.40 g/mol
LogP2.70
Rot. Bonds7

About ethyl (2S)-2-(aminomethyl)-2-(3-methoxyphenyl)-3-phenylpropanoate

ethyl (2S)-2-(aminomethyl)-2-(3-methoxyphenyl)-3-phenylpropanoate (PubChem CID 124561920) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is ethyl (2S)-2-(aminomethyl)-2-(3-methoxyphenyl)-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl (2S)-2-(aminomethyl)-2-(3-methoxyphenyl)-3-phenylpropanoate
PubChem CID124561920
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Nameethyl (2S)-2-(aminomethyl)-2-(3-methoxyphenyl)-3-phenylpropanoate
SMILESCCOC(=O)[C@@](CN)(Cc1ccccc1)c1cccc(OC)c1
InChIInChI=1S/C19H23NO3/c1-3-23-18(21)19(14-20,13-15-8-5-4-6-9-15)16-10-7-11-17(12-16)22-2/h4-12H,3,13-14,20H2,1-2H3/t19-/m1/s1
InChIKeyXBKSFHNOIWJPLR-LJQANCHMSA-N
XLogP2.70
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-methoxy-2-(3-methoxyphenyl)-3-phenylpropanoic acid
CID 150337252
2-amino-N-[2-(3-methoxyphenyl)-1-phenylpropan-2-yl]acetamide
CID 15115342
ethyl 2,3-bis(dibenzylamino)-2-(3-methoxyphenyl)propanoate
CID 141416969
2-(3-methoxyphenyl)propane-1,2,3-tricarboxylic acid
CID 170564927
2-(3-methoxyphenyl)-1-phenylpropan-2-ol
CID 43810200
methyl 2-(aminomethyl)-3-(4-aminophenyl)-2-phenylpropanoate
CID 106489201
ethyl 3-hydroxy-3,3-bis(3-methoxyphenyl)propanoate
CID 22743437
2-amino-3-(3-methoxyphenyl)-3-methyl-4-phenylbutanamide
CID 142629845
ethyl 2-methyl-2-(3-methylphenyl)-3-phenylpropanoate
CID 57419846
ethyl 2-(aminomethyl)-3-(4-methyl-1,3-thiazol-2-yl)-2-phenylpropanoate
CID 106509533
3-(aminomethyl)-4-(3-methoxyphenyl)-3-phenylbutan-2-ol
CID 66432579
ethyl 2-(aminomethyl)-2-(3-methylphenyl)-3-thiophen-2-ylpropanoate
CID 106490696

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-(aminomethyl)-2-(3-methoxyphenyl)-3-phenylpropanoate?
The IUPAC name of ethyl (2S)-2-(aminomethyl)-2-(3-methoxyphenyl)-3-phenylpropanoate (CID 124561920) is ethyl (2S)-2-(aminomethyl)-2-(3-methoxyphenyl)-3-phenylpropanoate.
What is the SMILES notation for ethyl (2S)-2-(aminomethyl)-2-(3-methoxyphenyl)-3-phenylpropanoate?
The canonical SMILES for ethyl (2S)-2-(aminomethyl)-2-(3-methoxyphenyl)-3-phenylpropanoate is CCOC(=O)[C@@](CN)(Cc1ccccc1)c1cccc(OC)c1.
What is the InChIKey of ethyl (2S)-2-(aminomethyl)-2-(3-methoxyphenyl)-3-phenylpropanoate?
The InChIKey is XBKSFHNOIWJPLR-LJQANCHMSA-N. The full InChI is InChI=1S/C19H23NO3/c1-3-23-18(21)19(14-20,13-15-8-5-4-6-9-15)16-10-7-11-17(12-16)22-2/h4-12H,3,13-14,20H2,1-2H3/t19-/m1/s1.
What are the key properties of ethyl (2S)-2-(aminomethyl)-2-(3-methoxyphenyl)-3-phenylpropanoate?
ethyl (2S)-2-(aminomethyl)-2-(3-methoxyphenyl)-3-phenylpropanoate has a molecular weight of 313.40 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-(aminomethyl)-2-(3-methoxyphenyl)-3-phenylpropanoate is sourced from PubChem (CID 124561920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).