ethyl 3-amino-3-[3-(2-methoxyphenyl)phenyl]propanoate

C18H21NO3 — CID 175002076

IUPACethyl 3-amino-3-[3-(2-methoxyphenyl)phenyl]propanoate
SMILESCCOC(=O)CC(N)c1cccc(-c2ccccc2OC)c1
InChIInChI=1S/C18H21NO3/c1-3-22-18(20)12-16(19)14-8-6-7-13(11-14)15-9-4-5-10-17(15)21-2/h4-11,16H,3,12,19H2,1-2H3
InChIKeyNMYBNFMEZPTDPE-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.32
Rot. Bonds6

About ethyl 3-amino-3-[3-(2-methoxyphenyl)phenyl]propanoate

ethyl 3-amino-3-[3-(2-methoxyphenyl)phenyl]propanoate (PubChem CID 175002076) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is ethyl 3-amino-3-[3-(2-methoxyphenyl)phenyl]propanoate.

Molecular Properties

Compound Nameethyl 3-amino-3-[3-(2-methoxyphenyl)phenyl]propanoate
PubChem CID175002076
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Nameethyl 3-amino-3-[3-(2-methoxyphenyl)phenyl]propanoate
SMILESCCOC(=O)CC(N)c1cccc(-c2ccccc2OC)c1
InChIInChI=1S/C18H21NO3/c1-3-22-18(20)12-16(19)14-8-6-7-13(11-14)15-9-4-5-10-17(15)21-2/h4-11,16H,3,12,19H2,1-2H3
InChIKeyNMYBNFMEZPTDPE-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-(2,4-dimethoxyphenyl)phenyl]propanoate
CID 140935430
ethyl 3-amino-3-[3-[2-(trifluoromethoxy)phenyl]phenyl]propanoate
CID 175004873
ethyl (3S)-3-amino-3-(3-phenylphenyl)propanoate
CID 140935655
ethyl (3S)-3-amino-3-[3-(2,3-difluorophenyl)phenyl]propanoate
CID 140935410
ethyl (3S)-3-amino-3-(3,4-dimethoxy-5-phenylphenyl)propanoate
CID 140935545
ethyl (3S)-3-amino-3-(2-methoxyphenyl)propanoate;hydrochloride
CID 171220006
ethyl 3-amino-3-(3-methoxy-5-phenylphenyl)propanoate
CID 175005569
ethyl (3S)-3-amino-3-[3-(3,4-difluorophenyl)phenyl]propanoate
CID 140935831
ethyl (3R)-3-amino-3-(2-hydroxy-3-methoxyphenyl)propanoate
CID 171212314
(3S)-3-amino-3-[3-(2,5-dimethoxyphenyl)phenyl]propanoic acid
CID 135366938
(3S)-3-amino-3-[3-(2,4-dimethoxyphenyl)phenyl]propanoic acid
CID 135366980
ethyl (3R)-3-amino-3-(3-hydroxyphenyl)propanoate
CID 686204

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-3-[3-(2-methoxyphenyl)phenyl]propanoate?
The IUPAC name of ethyl 3-amino-3-[3-(2-methoxyphenyl)phenyl]propanoate (CID 175002076) is ethyl 3-amino-3-[3-(2-methoxyphenyl)phenyl]propanoate.
What is the SMILES notation for ethyl 3-amino-3-[3-(2-methoxyphenyl)phenyl]propanoate?
The canonical SMILES for ethyl 3-amino-3-[3-(2-methoxyphenyl)phenyl]propanoate is CCOC(=O)CC(N)c1cccc(-c2ccccc2OC)c1.
What is the InChIKey of ethyl 3-amino-3-[3-(2-methoxyphenyl)phenyl]propanoate?
The InChIKey is NMYBNFMEZPTDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-3-22-18(20)12-16(19)14-8-6-7-13(11-14)15-9-4-5-10-17(15)21-2/h4-11,16H,3,12,19H2,1-2H3.
What are the key properties of ethyl 3-amino-3-[3-(2-methoxyphenyl)phenyl]propanoate?
ethyl 3-amino-3-[3-(2-methoxyphenyl)phenyl]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-(2-methoxyphenyl)phenyl]propanoate is sourced from PubChem (CID 175002076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).