ethyl (3R)-3-amino-3-(4-methoxy-3-phenylmethoxyphenyl)propanoate

C19H23NO4 — CID 171213027

IUPACethyl (3R)-3-amino-3-(4-methoxy-3-phenylmethoxyphenyl)propanoate
SMILESCCOC(=O)C[C@@H](N)c1ccc(OC)c(OCc2ccccc2)c1
InChIInChI=1S/C19H23NO4/c1-3-23-19(21)12-16(20)15-9-10-17(22-2)18(11-15)24-13-14-7-5-4-6-8-14/h4-11,16H,3,12-13,20H2,1-2H3/t16-/m1/s1
InChIKeyYOZONPPWRXYIQO-MRXNPFEDSA-N
MW329.40 g/mol
LogP3.23
Rot. Bonds8

About ethyl (3R)-3-amino-3-(4-methoxy-3-phenylmethoxyphenyl)propanoate

ethyl (3R)-3-amino-3-(4-methoxy-3-phenylmethoxyphenyl)propanoate (PubChem CID 171213027) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is ethyl (3R)-3-amino-3-(4-methoxy-3-phenylmethoxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl (3R)-3-amino-3-(4-methoxy-3-phenylmethoxyphenyl)propanoate
PubChem CID171213027
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Nameethyl (3R)-3-amino-3-(4-methoxy-3-phenylmethoxyphenyl)propanoate
SMILESCCOC(=O)C[C@@H](N)c1ccc(OC)c(OCc2ccccc2)c1
InChIInChI=1S/C19H23NO4/c1-3-23-19(21)12-16(20)15-9-10-17(22-2)18(11-15)24-13-14-7-5-4-6-8-14/h4-11,16H,3,12-13,20H2,1-2H3/t16-/m1/s1
InChIKeyYOZONPPWRXYIQO-MRXNPFEDSA-N
XLogP3.23
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-3-(3-ethoxy-4-phenylmethoxyphenyl)propanoic acid
CID 16642004
ethyl (3S)-3-amino-3-(4-phenylmethoxyphenyl)propanoate;hydrochloride
CID 171230805
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)pentan-1-amine;hydrochloride
CID 171212991
(3R)-3-amino-3-(4-methoxy-3-phenylmethoxyphenyl)propan-1-ol;hydrochloride
CID 171213030
(1R)-3-fluoro-1-(4-methoxy-3-phenylmethoxyphenyl)propan-1-amine
CID 171213002
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)hexan-1-amine;hydrochloride
CID 171212993
ethyl (3R)-3-amino-3-(2-phenylmethoxyphenyl)propanoate;hydrochloride
CID 171214311
(3S)-3-amino-3-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]propanoic acid
CID 9152526
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 171212981
diethyl 2-[2-(4-methoxy-3-phenylmethoxyphenyl)-2-oxoethyl]propanedioate
CID 102243693
ethyl (2S)-2-amino-3-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxypropanoate;oxalic acid
CID 70351528
(3R)-3-amino-3-(3,4-dimethoxyphenyl)propanoic acid
CID 670404

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-amino-3-(4-methoxy-3-phenylmethoxyphenyl)propanoate?
The IUPAC name of ethyl (3R)-3-amino-3-(4-methoxy-3-phenylmethoxyphenyl)propanoate (CID 171213027) is ethyl (3R)-3-amino-3-(4-methoxy-3-phenylmethoxyphenyl)propanoate.
What is the SMILES notation for ethyl (3R)-3-amino-3-(4-methoxy-3-phenylmethoxyphenyl)propanoate?
The canonical SMILES for ethyl (3R)-3-amino-3-(4-methoxy-3-phenylmethoxyphenyl)propanoate is CCOC(=O)C[C@@H](N)c1ccc(OC)c(OCc2ccccc2)c1.
What is the InChIKey of ethyl (3R)-3-amino-3-(4-methoxy-3-phenylmethoxyphenyl)propanoate?
The InChIKey is YOZONPPWRXYIQO-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H23NO4/c1-3-23-19(21)12-16(20)15-9-10-17(22-2)18(11-15)24-13-14-7-5-4-6-8-14/h4-11,16H,3,12-13,20H2,1-2H3/t16-/m1/s1.
What are the key properties of ethyl (3R)-3-amino-3-(4-methoxy-3-phenylmethoxyphenyl)propanoate?
ethyl (3R)-3-amino-3-(4-methoxy-3-phenylmethoxyphenyl)propanoate has a molecular weight of 329.40 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-amino-3-(4-methoxy-3-phenylmethoxyphenyl)propanoate is sourced from PubChem (CID 171213027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).