ethyl (3S)-3-amino-3-(4-phenylphenyl)propanoate

C17H19NO2 — CID 29059678

IUPACethyl (3S)-3-amino-3-(4-phenylphenyl)propanoate
SMILESCCOC(=O)C[C@H](N)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H19NO2/c1-2-20-17(19)12-16(18)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11,16H,2,12,18H2,1H3/t16-/m0/s1
InChIKeyMAOKTOQXSZOYGA-INIZCTEOSA-N
MW269.34 g/mol
LogP3.31
Rot. Bonds5

About ethyl (3S)-3-amino-3-(4-phenylphenyl)propanoate

ethyl (3S)-3-amino-3-(4-phenylphenyl)propanoate (PubChem CID 29059678) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is ethyl (3S)-3-amino-3-(4-phenylphenyl)propanoate.

Molecular Properties

Compound Nameethyl (3S)-3-amino-3-(4-phenylphenyl)propanoate
PubChem CID29059678
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Nameethyl (3S)-3-amino-3-(4-phenylphenyl)propanoate
SMILESCCOC(=O)C[C@H](N)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H19NO2/c1-2-20-17(19)12-16(18)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11,16H,2,12,18H2,1H3/t16-/m0/s1
InChIKeyMAOKTOQXSZOYGA-INIZCTEOSA-N
XLogP3.31
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3S)-3-amino-3-(3-phenylphenyl)propanoate
CID 140935655
tert-butyl (3R)-3-amino-3-(4-phenylphenyl)propanoate
CID 131888301
ethyl 3-amino-3-(4-aminophenyl)propanoate
CID 90765917
ethyl 3-amino-3-(3-methoxy-5-phenylphenyl)propanoate
CID 175005569
ethyl (3S)-3-amino-3-(4-fluorophenyl)propanoate
CID 723060
ethyl (3S)-3-amino-3-[4-[4-(trifluoromethoxy)phenyl]phenyl]propanoate
CID 154815468
ethyl 3-amino-3-(4-chlorophenyl)propanoate;hydrochloride
CID 2847356
ethyl (3R)-3-amino-3-[4-(benzylamino)phenyl]propanoate
CID 171201574
ethyl (3S)-3-amino-3-(4-phenylmethoxyphenyl)propanoate;hydrochloride
CID 171230805
ethyl (2R)-2-hydroxy-2-(4-phenylphenyl)acetate
CID 885195
ethyl 3-amino-3-(4-propan-2-yloxyphenyl)propanoate
CID 4201753
ethyl (3S)-3-amino-2-fluoro-3-(4-phenylphenyl)propanoate
CID 171249187

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-3-amino-3-(4-phenylphenyl)propanoate?
The IUPAC name of ethyl (3S)-3-amino-3-(4-phenylphenyl)propanoate (CID 29059678) is ethyl (3S)-3-amino-3-(4-phenylphenyl)propanoate.
What is the SMILES notation for ethyl (3S)-3-amino-3-(4-phenylphenyl)propanoate?
The canonical SMILES for ethyl (3S)-3-amino-3-(4-phenylphenyl)propanoate is CCOC(=O)C[C@H](N)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of ethyl (3S)-3-amino-3-(4-phenylphenyl)propanoate?
The InChIKey is MAOKTOQXSZOYGA-INIZCTEOSA-N. The full InChI is InChI=1S/C17H19NO2/c1-2-20-17(19)12-16(18)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11,16H,2,12,18H2,1H3/t16-/m0/s1.
What are the key properties of ethyl (3S)-3-amino-3-(4-phenylphenyl)propanoate?
ethyl (3S)-3-amino-3-(4-phenylphenyl)propanoate has a molecular weight of 269.34 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-3-amino-3-(4-phenylphenyl)propanoate is sourced from PubChem (CID 29059678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).