ethyl (3S)-3-hydroxy-3-phenyl-3-pyridin-2-ylpropanoate

C16H17NO3 — CID 124644619

IUPACethyl (3S)-3-hydroxy-3-phenyl-3-pyridin-2-ylpropanoate
SMILESCCOC(=O)C[C@](O)(c1ccccc1)c1ccccn1
InChIInChI=1S/C16H17NO3/c1-2-20-15(18)12-16(19,13-8-4-3-5-9-13)14-10-6-7-11-17-14/h3-11,19H,2,12H2,1H3/t16-/m0/s1
InChIKeyWZAXKLVRUJWRRY-INIZCTEOSA-N
MW271.32 g/mol
LogP2.27
Rot. Bonds5

About ethyl (3S)-3-hydroxy-3-phenyl-3-pyridin-2-ylpropanoate

ethyl (3S)-3-hydroxy-3-phenyl-3-pyridin-2-ylpropanoate (PubChem CID 124644619) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is ethyl (3S)-3-hydroxy-3-phenyl-3-pyridin-2-ylpropanoate.

Molecular Properties

Compound Nameethyl (3S)-3-hydroxy-3-phenyl-3-pyridin-2-ylpropanoate
PubChem CID124644619
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Nameethyl (3S)-3-hydroxy-3-phenyl-3-pyridin-2-ylpropanoate
SMILESCCOC(=O)C[C@](O)(c1ccccc1)c1ccccn1
InChIInChI=1S/C16H17NO3/c1-2-20-15(18)12-16(19,13-8-4-3-5-9-13)14-10-6-7-11-17-14/h3-11,19H,2,12H2,1H3/t16-/m0/s1
InChIKeyWZAXKLVRUJWRRY-INIZCTEOSA-N
XLogP2.27
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-3-hydroxy-3-phenyl-3-pyridin-2-ylpropanoate?
The IUPAC name of ethyl (3S)-3-hydroxy-3-phenyl-3-pyridin-2-ylpropanoate (CID 124644619) is ethyl (3S)-3-hydroxy-3-phenyl-3-pyridin-2-ylpropanoate.
What is the SMILES notation for ethyl (3S)-3-hydroxy-3-phenyl-3-pyridin-2-ylpropanoate?
The canonical SMILES for ethyl (3S)-3-hydroxy-3-phenyl-3-pyridin-2-ylpropanoate is CCOC(=O)C[C@](O)(c1ccccc1)c1ccccn1.
What is the InChIKey of ethyl (3S)-3-hydroxy-3-phenyl-3-pyridin-2-ylpropanoate?
The InChIKey is WZAXKLVRUJWRRY-INIZCTEOSA-N. The full InChI is InChI=1S/C16H17NO3/c1-2-20-15(18)12-16(19,13-8-4-3-5-9-13)14-10-6-7-11-17-14/h3-11,19H,2,12H2,1H3/t16-/m0/s1.
What are the key properties of ethyl (3S)-3-hydroxy-3-phenyl-3-pyridin-2-ylpropanoate?
ethyl (3S)-3-hydroxy-3-phenyl-3-pyridin-2-ylpropanoate has a molecular weight of 271.32 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-3-hydroxy-3-phenyl-3-pyridin-2-ylpropanoate is sourced from PubChem (CID 124644619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).