ethyl (3S)-3-amino-3-(3,4-dimethoxy-5-phenylphenyl)propanoate

C19H23NO4 — CID 140935545

IUPACethyl (3S)-3-amino-3-(3,4-dimethoxy-5-phenylphenyl)propanoate
SMILESCCOC(=O)C[C@H](N)c1cc(OC)c(OC)c(-c2ccccc2)c1
InChIInChI=1S/C19H23NO4/c1-4-24-18(21)12-16(20)14-10-15(13-8-6-5-7-9-13)19(23-3)17(11-14)22-2/h5-11,16H,4,12,20H2,1-3H3/t16-/m0/s1
InChIKeyOFUADKOFYPKCGT-INIZCTEOSA-N
MW329.40 g/mol
LogP3.32
Rot. Bonds7

About ethyl (3S)-3-amino-3-(3,4-dimethoxy-5-phenylphenyl)propanoate

ethyl (3S)-3-amino-3-(3,4-dimethoxy-5-phenylphenyl)propanoate (PubChem CID 140935545) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is ethyl (3S)-3-amino-3-(3,4-dimethoxy-5-phenylphenyl)propanoate.

Molecular Properties

Compound Nameethyl (3S)-3-amino-3-(3,4-dimethoxy-5-phenylphenyl)propanoate
PubChem CID140935545
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Nameethyl (3S)-3-amino-3-(3,4-dimethoxy-5-phenylphenyl)propanoate
SMILESCCOC(=O)C[C@H](N)c1cc(OC)c(OC)c(-c2ccccc2)c1
InChIInChI=1S/C19H23NO4/c1-4-24-18(21)12-16(20)14-10-15(13-8-6-5-7-9-13)19(23-3)17(11-14)22-2/h5-11,16H,4,12,20H2,1-3H3/t16-/m0/s1
InChIKeyOFUADKOFYPKCGT-INIZCTEOSA-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

ethyl 3-amino-3-[3-(2-methoxyphenyl)phenyl]propanoate
CID 175002076
ethyl 3-amino-3-(3-methoxy-5-phenylphenyl)propanoate
CID 175005569
ethyl (3S)-3-amino-3-(4-phenylphenyl)propanoate
CID 29059678
ethyl (3S)-3-amino-3-(3-phenylphenyl)propanoate
CID 140935655
(3S)-3-amino-3-(4-methoxy-3-phenylphenyl)propanoic acid
CID 135366641
ethyl (3R)-3-amino-3-(4-methoxy-3-phenylmethoxyphenyl)propanoate
CID 171213027
ethyl (3S)-3-amino-3-[3-(2,4-dimethoxyphenyl)phenyl]propanoate
CID 140935430
ethyl (3S)-3-amino-3-(2-methoxyphenyl)propanoate;hydrochloride
CID 171220006
ethyl (3R)-3-amino-3-(4-chloro-3-methoxyphenyl)propanoate
CID 171211149
4-amino-4-(3,4,5-trimethoxyphenyl)butan-2-one
CID 116940614
3-(3,4-dimethoxy-5-phenylphenyl)butan-1-amine
CID 82542986
ethyl (3S)-3-amino-3-[3-methoxy-5-(3-methoxyphenyl)phenyl]propanoate
CID 140935488

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-3-amino-3-(3,4-dimethoxy-5-phenylphenyl)propanoate?
The IUPAC name of ethyl (3S)-3-amino-3-(3,4-dimethoxy-5-phenylphenyl)propanoate (CID 140935545) is ethyl (3S)-3-amino-3-(3,4-dimethoxy-5-phenylphenyl)propanoate.
What is the SMILES notation for ethyl (3S)-3-amino-3-(3,4-dimethoxy-5-phenylphenyl)propanoate?
The canonical SMILES for ethyl (3S)-3-amino-3-(3,4-dimethoxy-5-phenylphenyl)propanoate is CCOC(=O)C[C@H](N)c1cc(OC)c(OC)c(-c2ccccc2)c1.
What is the InChIKey of ethyl (3S)-3-amino-3-(3,4-dimethoxy-5-phenylphenyl)propanoate?
The InChIKey is OFUADKOFYPKCGT-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23NO4/c1-4-24-18(21)12-16(20)14-10-15(13-8-6-5-7-9-13)19(23-3)17(11-14)22-2/h5-11,16H,4,12,20H2,1-3H3/t16-/m0/s1.
What are the key properties of ethyl (3S)-3-amino-3-(3,4-dimethoxy-5-phenylphenyl)propanoate?
ethyl (3S)-3-amino-3-(3,4-dimethoxy-5-phenylphenyl)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-(3,4-dimethoxy-5-phenylphenyl)propanoate is sourced from PubChem (CID 140935545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).