ethyl 3-amino-3-(3-methoxy-5-phenylphenyl)propanoate

C18H21NO3 — CID 175005569

IUPACethyl 3-amino-3-(3-methoxy-5-phenylphenyl)propanoate
SMILESCCOC(=O)CC(N)c1cc(OC)cc(-c2ccccc2)c1
InChIInChI=1S/C18H21NO3/c1-3-22-18(20)12-17(19)15-9-14(10-16(11-15)21-2)13-7-5-4-6-8-13/h4-11,17H,3,12,19H2,1-2H3
InChIKeyNUXUAORVEYAFPD-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.32
Rot. Bonds6

About ethyl 3-amino-3-(3-methoxy-5-phenylphenyl)propanoate

ethyl 3-amino-3-(3-methoxy-5-phenylphenyl)propanoate (PubChem CID 175005569) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is ethyl 3-amino-3-(3-methoxy-5-phenylphenyl)propanoate.

Molecular Properties

Compound Nameethyl 3-amino-3-(3-methoxy-5-phenylphenyl)propanoate
PubChem CID175005569
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Nameethyl 3-amino-3-(3-methoxy-5-phenylphenyl)propanoate
SMILESCCOC(=O)CC(N)c1cc(OC)cc(-c2ccccc2)c1
InChIInChI=1S/C18H21NO3/c1-3-22-18(20)12-17(19)15-9-14(10-16(11-15)21-2)13-7-5-4-6-8-13/h4-11,17H,3,12,19H2,1-2H3
InChIKeyNUXUAORVEYAFPD-UHFFFAOYSA-N
XLogP3.32
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3S)-3-amino-3-[3-methoxy-5-(3-methoxyphenyl)phenyl]propanoate
CID 140935488
ethyl (3S)-3-amino-3-(3-phenylphenyl)propanoate
CID 140935655
ethyl (3S)-3-amino-3-(4-phenylphenyl)propanoate
CID 29059678
ethyl (3S)-3-amino-3-(3,4-dimethoxy-5-phenylphenyl)propanoate
CID 140935545
ethyl 3-amino-3-[3-(2-methoxyphenyl)phenyl]propanoate
CID 175002076
ethyl (3S)-3-amino-3-[3-(2,4-dimethoxyphenyl)phenyl]propanoate
CID 140935430
(3S)-3-amino-3-[3-fluoro-5-(3-methoxyphenyl)phenyl]propanoic acid
CID 135367087
3-amino-3-(3,5-dimethoxyphenyl)propanoic acid;hydrochloride
CID 155888018
ethyl 3-amino-3-[3-(2,6-dimethylphenyl)-5-methylphenyl]propanoate
CID 175002644
ethyl (3S)-3-amino-3-(3,5-dimethylphenyl)propanoate
CID 78974740
ethyl 3-amino-3-[3-(2-methylpyrazol-3-yl)-5-phenylmethoxyphenyl]propanoate
CID 176910171
(3S)-3-amino-3-(3,5-dimethoxyphenyl)propanamide
CID 29059837

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-3-(3-methoxy-5-phenylphenyl)propanoate?
The IUPAC name of ethyl 3-amino-3-(3-methoxy-5-phenylphenyl)propanoate (CID 175005569) is ethyl 3-amino-3-(3-methoxy-5-phenylphenyl)propanoate.
What is the SMILES notation for ethyl 3-amino-3-(3-methoxy-5-phenylphenyl)propanoate?
The canonical SMILES for ethyl 3-amino-3-(3-methoxy-5-phenylphenyl)propanoate is CCOC(=O)CC(N)c1cc(OC)cc(-c2ccccc2)c1.
What is the InChIKey of ethyl 3-amino-3-(3-methoxy-5-phenylphenyl)propanoate?
The InChIKey is NUXUAORVEYAFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-3-22-18(20)12-17(19)15-9-14(10-16(11-15)21-2)13-7-5-4-6-8-13/h4-11,17H,3,12,19H2,1-2H3.
What are the key properties of ethyl 3-amino-3-(3-methoxy-5-phenylphenyl)propanoate?
ethyl 3-amino-3-(3-methoxy-5-phenylphenyl)propanoate has a molecular weight of 299.37 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-3-(3-methoxy-5-phenylphenyl)propanoate is sourced from PubChem (CID 175005569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).