ethyl 2-amino-3-(4-methyl-3-phenylmethoxyphenyl)propanoate

C19H23NO3 — CID 144719358

IUPACethyl 2-amino-3-(4-methyl-3-phenylmethoxyphenyl)propanoate
SMILESCCOC(=O)C(N)Cc1ccc(C)c(OCc2ccccc2)c1
InChIInChI=1S/C19H23NO3/c1-3-22-19(21)17(20)11-16-10-9-14(2)18(12-16)23-13-15-7-5-4-6-8-15/h4-10,12,17H,3,11,13,20H2,1-2H3
InChIKeyKDRNSPYZJZBSAM-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.01
Rot. Bonds7

About ethyl 2-amino-3-(4-methyl-3-phenylmethoxyphenyl)propanoate

ethyl 2-amino-3-(4-methyl-3-phenylmethoxyphenyl)propanoate (PubChem CID 144719358) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is ethyl 2-amino-3-(4-methyl-3-phenylmethoxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-(4-methyl-3-phenylmethoxyphenyl)propanoate
PubChem CID144719358
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Nameethyl 2-amino-3-(4-methyl-3-phenylmethoxyphenyl)propanoate
SMILESCCOC(=O)C(N)Cc1ccc(C)c(OCc2ccccc2)c1
InChIInChI=1S/C19H23NO3/c1-3-22-19(21)17(20)11-16-10-9-14(2)18(12-16)23-13-15-7-5-4-6-8-15/h4-10,12,17H,3,11,13,20H2,1-2H3
InChIKeyKDRNSPYZJZBSAM-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2R)-2-amino-3-[3-(3-phenylmethoxyphenyl)phenyl]propanoate
CID 154815416
ethyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 141026874
ethyl (2R)-2-amino-3-[3-(4-phenylmethoxyphenyl)phenyl]propanoate
CID 154815424
ethyl (2S)-2-amino-3-phenylpropanoate;hydron;chloride
CID 74764559
ethyl (2S)-2-amino-3-phenylpropanoate;hypochlorous acid
CID 69027171
ethyl (2S)-2-amino-3-(3-hydroxyphenyl)propanoate
CID 54017853
ethyl 2-(4-methyl-3-phenylmethoxyphenyl)-2-oxoacetate
CID 117480834
benzyl 4-[(2S)-2-amino-3-ethoxy-3-oxopropyl]benzoate
CID 54200487
ethyl (2R)-2-amino-3-(3-methylphenyl)propanoate
CID 92959953
benzyl 2-amino-3-(4-ethoxyphenyl)propanoate
CID 19804808
ethyl 3-(4-methyl-3-phenylmethoxyphenyl)-3-oxopropanoate
CID 20814225
ethyl 2-amino-3-[3-(3,4-dimethylphenyl)phenyl]propanoate
CID 170885611

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(4-methyl-3-phenylmethoxyphenyl)propanoate?
The IUPAC name of ethyl 2-amino-3-(4-methyl-3-phenylmethoxyphenyl)propanoate (CID 144719358) is ethyl 2-amino-3-(4-methyl-3-phenylmethoxyphenyl)propanoate.
What is the SMILES notation for ethyl 2-amino-3-(4-methyl-3-phenylmethoxyphenyl)propanoate?
The canonical SMILES for ethyl 2-amino-3-(4-methyl-3-phenylmethoxyphenyl)propanoate is CCOC(=O)C(N)Cc1ccc(C)c(OCc2ccccc2)c1.
What is the InChIKey of ethyl 2-amino-3-(4-methyl-3-phenylmethoxyphenyl)propanoate?
The InChIKey is KDRNSPYZJZBSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-3-22-19(21)17(20)11-16-10-9-14(2)18(12-16)23-13-15-7-5-4-6-8-15/h4-10,12,17H,3,11,13,20H2,1-2H3.
What are the key properties of ethyl 2-amino-3-(4-methyl-3-phenylmethoxyphenyl)propanoate?
ethyl 2-amino-3-(4-methyl-3-phenylmethoxyphenyl)propanoate has a molecular weight of 313.40 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-(4-methyl-3-phenylmethoxyphenyl)propanoate is sourced from PubChem (CID 144719358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).