ethyl (3R)-3-anilino-3-phenylpropanoate

C17H19NO2 — CID 11086803

IUPACethyl (3R)-3-anilino-3-phenylpropanoate
SMILESCCOC(=O)C[C@@H](Nc1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-2-20-17(19)13-16(14-9-5-3-6-10-14)18-15-11-7-4-8-12-15/h3-12,16,18H,2,13H2,1H3/t16-/m1/s1
InChIKeyBAYYVACCULNRTK-MRXNPFEDSA-N
MW269.34 g/mol
LogP3.79
Rot. Bonds6

About ethyl (3R)-3-anilino-3-phenylpropanoate

ethyl (3R)-3-anilino-3-phenylpropanoate (PubChem CID 11086803) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is ethyl (3R)-3-anilino-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl (3R)-3-anilino-3-phenylpropanoate
PubChem CID11086803
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Nameethyl (3R)-3-anilino-3-phenylpropanoate
SMILESCCOC(=O)C[C@@H](Nc1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-2-20-17(19)13-16(14-9-5-3-6-10-14)18-15-11-7-4-8-12-15/h3-12,16,18H,2,13H2,1H3/t16-/m1/s1
InChIKeyBAYYVACCULNRTK-MRXNPFEDSA-N
XLogP3.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Piminodine
CID 21950
3-[4-(Benzylamino)phenyl]propanoic acid
CID 23346507
3-Methyl-11-phenyl-4,5,10,11-tetrahydropyrano[4,3-b][1,5]benzodiazepin-1(3H)-one
CID 367663
alpha-(Phenylamino)benzeneacetic acid
CID 19375
[2-(N-ethylanilino)-2-oxoethyl] 3-phenylpropanoate
CID 2391741
methyl N-{3-methyl-5-[(4-methylphenyl)amino]-5-oxopentanoyl}phenylalaninate
CID 16467950
Acetic acid, 2-(p-(benzylamino)phenyl)-
CID 38320
3-[4-({[4-(Trifluoromethyl)phenyl]methyl}amino)phenyl]propanoic acid
CID 24825494
3-(4-{[(4-Methylphenyl)methyl]amino}phenyl)propanoic acid
CID 24825496
3-(4-{[(3-Fluorophenyl)methyl]amino}phenyl)propanoic acid
CID 24825497
[2-(2-Methylanilino)-2-oxoethyl] 3-phenylpropanoate
CID 1690080
Ethyl 2-cyclohexyl-3-[(3-methylphenyl)amino]-3-oxopropanoate
CID 2836833

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-anilino-3-phenylpropanoate?
The IUPAC name of ethyl (3R)-3-anilino-3-phenylpropanoate (CID 11086803) is ethyl (3R)-3-anilino-3-phenylpropanoate.
What is the SMILES notation for ethyl (3R)-3-anilino-3-phenylpropanoate?
The canonical SMILES for ethyl (3R)-3-anilino-3-phenylpropanoate is CCOC(=O)C[C@@H](Nc1ccccc1)c1ccccc1.
What is the InChIKey of ethyl (3R)-3-anilino-3-phenylpropanoate?
The InChIKey is BAYYVACCULNRTK-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H19NO2/c1-2-20-17(19)13-16(14-9-5-3-6-10-14)18-15-11-7-4-8-12-15/h3-12,16,18H,2,13H2,1H3/t16-/m1/s1.
What are the key properties of ethyl (3R)-3-anilino-3-phenylpropanoate?
ethyl (3R)-3-anilino-3-phenylpropanoate has a molecular weight of 269.34 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-anilino-3-phenylpropanoate is sourced from PubChem (CID 11086803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).