ethyl (3S)-3-amino-3-[3-(2-oxo-3-phenyl-1-pyridinyl)phenyl]propanoate

C22H22N2O3 — CID 140935476

IUPACethyl (3S)-3-amino-3-[3-(2-oxo-3-phenyl-1-pyridinyl)phenyl]propanoate
SMILESCCOC(=O)C[C@H](N)c1cccc(-n2cccc(-c3ccccc3)c2=O)c1
InChIInChI=1S/C22H22N2O3/c1-2-27-21(25)15-20(23)17-10-6-11-18(14-17)24-13-7-12-19(22(24)26)16-8-4-3-5-9-16/h3-14,20H,2,15,23H2,1H3/t20-/m0/s1
InChIKeyVLDGCLJUOOOVHQ-FQEVSTJZSA-N
MW362.43 g/mol
LogP3.46
Rot. Bonds6

About ethyl (3S)-3-amino-3-[3-(2-oxo-3-phenyl-1-pyridinyl)phenyl]propanoate

ethyl (3S)-3-amino-3-[3-(2-oxo-3-phenyl-1-pyridinyl)phenyl]propanoate (PubChem CID 140935476) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is ethyl (3S)-3-amino-3-[3-(2-oxo-3-phenyl-1-pyridinyl)phenyl]propanoate.

Molecular Properties

Compound Nameethyl (3S)-3-amino-3-[3-(2-oxo-3-phenyl-1-pyridinyl)phenyl]propanoate
PubChem CID140935476
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Nameethyl (3S)-3-amino-3-[3-(2-oxo-3-phenyl-1-pyridinyl)phenyl]propanoate
SMILESCCOC(=O)C[C@H](N)c1cccc(-n2cccc(-c3ccccc3)c2=O)c1
InChIInChI=1S/C22H22N2O3/c1-2-27-21(25)15-20(23)17-10-6-11-18(14-17)24-13-7-12-19(22(24)26)16-8-4-3-5-9-16/h3-14,20H,2,15,23H2,1H3/t20-/m0/s1
InChIKeyVLDGCLJUOOOVHQ-FQEVSTJZSA-N
XLogP3.46
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (3S)-3-amino-3-(3-phenylphenyl)propanoate
CID 140935655
ethyl (3S)-3-amino-3-(3-pyrazol-1-ylphenyl)propanoate
CID 140935403
ethyl 3-amino-3-(3-pyrazol-1-ylphenyl)propanoate
CID 175563002
ethyl 3-amino-3-[3-(2-methoxyphenyl)phenyl]propanoate
CID 175002076
ethyl (3S)-3-amino-3-(3-chlorophenyl)propanoate
CID 7047015
ethyl (3S)-3-amino-3-(4-phenylphenyl)propanoate
CID 29059678
ethyl (3S)-3-amino-3-[3-(2,3-difluorophenyl)phenyl]propanoate
CID 140935410
ethyl (3R)-3-amino-3-(3-hydroxyphenyl)propanoate
CID 686204
ethyl 3-amino-3-[3-[2-(trifluoromethoxy)phenyl]phenyl]propanoate
CID 175004873
ethyl (3S)-3-amino-3-[3-(3,4-difluorophenyl)phenyl]propanoate
CID 140935831
ethyl 3-amino-3-(3-bromophenyl)propanoate;hydrochloride
CID 130177192
ethyl (3S)-3-amino-3-(3,4-dimethoxy-5-phenylphenyl)propanoate
CID 140935545

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-3-amino-3-[3-(2-oxo-3-phenyl-1-pyridinyl)phenyl]propanoate?
The IUPAC name of ethyl (3S)-3-amino-3-[3-(2-oxo-3-phenyl-1-pyridinyl)phenyl]propanoate (CID 140935476) is ethyl (3S)-3-amino-3-[3-(2-oxo-3-phenyl-1-pyridinyl)phenyl]propanoate.
What is the SMILES notation for ethyl (3S)-3-amino-3-[3-(2-oxo-3-phenyl-1-pyridinyl)phenyl]propanoate?
The canonical SMILES for ethyl (3S)-3-amino-3-[3-(2-oxo-3-phenyl-1-pyridinyl)phenyl]propanoate is CCOC(=O)C[C@H](N)c1cccc(-n2cccc(-c3ccccc3)c2=O)c1.
What is the InChIKey of ethyl (3S)-3-amino-3-[3-(2-oxo-3-phenyl-1-pyridinyl)phenyl]propanoate?
The InChIKey is VLDGCLJUOOOVHQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-2-27-21(25)15-20(23)17-10-6-11-18(14-17)24-13-7-12-19(22(24)26)16-8-4-3-5-9-16/h3-14,20H,2,15,23H2,1H3/t20-/m0/s1.
What are the key properties of ethyl (3S)-3-amino-3-[3-(2-oxo-3-phenyl-1-pyridinyl)phenyl]propanoate?
ethyl (3S)-3-amino-3-[3-(2-oxo-3-phenyl-1-pyridinyl)phenyl]propanoate has a molecular weight of 362.43 g/mol, XLogP of 3.46, 6 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-oxo-3-phenyl-1-pyridinyl)phenyl]propanoate is sourced from PubChem (CID 140935476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).