ethyl (3S)-3-amino-3-[3-(2,4-dimethoxyphenyl)phenyl]propanoate

C19H23NO4 — CID 140935430

IUPACethyl (3S)-3-amino-3-[3-(2,4-dimethoxyphenyl)phenyl]propanoate
SMILESCCOC(=O)C[C@H](N)c1cccc(-c2ccc(OC)cc2OC)c1
InChIInChI=1S/C19H23NO4/c1-4-24-19(21)12-17(20)14-7-5-6-13(10-14)16-9-8-15(22-2)11-18(16)23-3/h5-11,17H,4,12,20H2,1-3H3/t17-/m0/s1
InChIKeyRYQOXSMDEKGXTJ-KRWDZBQOSA-N
MW329.40 g/mol
LogP3.32
Rot. Bonds7

About ethyl (3S)-3-amino-3-[3-(2,4-dimethoxyphenyl)phenyl]propanoate

ethyl (3S)-3-amino-3-[3-(2,4-dimethoxyphenyl)phenyl]propanoate (PubChem CID 140935430) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is ethyl (3S)-3-amino-3-[3-(2,4-dimethoxyphenyl)phenyl]propanoate.

Molecular Properties

Compound Nameethyl (3S)-3-amino-3-[3-(2,4-dimethoxyphenyl)phenyl]propanoate
PubChem CID140935430
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Nameethyl (3S)-3-amino-3-[3-(2,4-dimethoxyphenyl)phenyl]propanoate
SMILESCCOC(=O)C[C@H](N)c1cccc(-c2ccc(OC)cc2OC)c1
InChIInChI=1S/C19H23NO4/c1-4-24-19(21)12-17(20)14-7-5-6-13(10-14)16-9-8-15(22-2)11-18(16)23-3/h5-11,17H,4,12,20H2,1-3H3/t17-/m0/s1
InChIKeyRYQOXSMDEKGXTJ-KRWDZBQOSA-N
XLogP3.32
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-amino-3-[3-(2,4-dimethoxyphenyl)phenyl]propanoic acid
CID 135366980
ethyl 3-amino-3-[3-(2-methoxyphenyl)phenyl]propanoate
CID 175002076
(3S)-3-amino-3-[3-(2,5-dimethoxyphenyl)phenyl]propanoic acid
CID 135366938
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 (3R)-3-amino-3-(2,4-dimethoxyphenyl)propanoate;hydrochloride
CID 171201109
ethyl 3-amino-3-[3-[2-(trifluoromethoxy)phenyl]phenyl]propanoate
CID 175004873
ethyl (3S)-3-amino-3-[3-(2,3-difluorophenyl)phenyl]propanoate
CID 140935410
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 (3S)-3-amino-3-(3,4-dimethoxy-5-phenylphenyl)propanoate
CID 140935545
ethyl (3R)-3-amino-3-(3-hydroxyphenyl)propanoate
CID 686204

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-3-amino-3-[3-(2,4-dimethoxyphenyl)phenyl]propanoate?
The IUPAC name of ethyl (3S)-3-amino-3-[3-(2,4-dimethoxyphenyl)phenyl]propanoate (CID 140935430) is ethyl (3S)-3-amino-3-[3-(2,4-dimethoxyphenyl)phenyl]propanoate.
What is the SMILES notation for ethyl (3S)-3-amino-3-[3-(2,4-dimethoxyphenyl)phenyl]propanoate?
The canonical SMILES for ethyl (3S)-3-amino-3-[3-(2,4-dimethoxyphenyl)phenyl]propanoate is CCOC(=O)C[C@H](N)c1cccc(-c2ccc(OC)cc2OC)c1.
What is the InChIKey of ethyl (3S)-3-amino-3-[3-(2,4-dimethoxyphenyl)phenyl]propanoate?
The InChIKey is RYQOXSMDEKGXTJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23NO4/c1-4-24-19(21)12-17(20)14-7-5-6-13(10-14)16-9-8-15(22-2)11-18(16)23-3/h5-11,17H,4,12,20H2,1-3H3/t17-/m0/s1.
What are the key properties of ethyl (3S)-3-amino-3-[3-(2,4-dimethoxyphenyl)phenyl]propanoate?
ethyl (3S)-3-amino-3-[3-(2,4-dimethoxyphenyl)phenyl]propanoate has a molecular weight of 329.40 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-3-amino-3-[3-(2,4-dimethoxyphenyl)phenyl]propanoate is sourced from PubChem (CID 140935430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).