ethyl (3S)-3-hydroxy-3-quinolin-6-ylpropanoate

C14H15NO3 — CID 11447949

IUPACethyl (3S)-3-hydroxy-3-quinolin-6-ylpropanoate
SMILESCCOC(=O)C[C@H](O)c1ccc2ncccc2c1
InChIInChI=1S/C14H15NO3/c1-2-18-14(17)9-13(16)11-5-6-12-10(8-11)4-3-7-15-12/h3-8,13,16H,2,9H2,1H3/t13-/m0/s1
InChIKeyFLAPTKZKLCOVEW-ZDUSSCGKSA-N
MW245.28 g/mol
LogP2.22
Rot. Bonds4

About ethyl (3S)-3-hydroxy-3-quinolin-6-ylpropanoate

ethyl (3S)-3-hydroxy-3-quinolin-6-ylpropanoate (PubChem CID 11447949) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is ethyl (3S)-3-hydroxy-3-quinolin-6-ylpropanoate.

Molecular Properties

Compound Nameethyl (3S)-3-hydroxy-3-quinolin-6-ylpropanoate
PubChem CID11447949
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Nameethyl (3S)-3-hydroxy-3-quinolin-6-ylpropanoate
SMILESCCOC(=O)C[C@H](O)c1ccc2ncccc2c1
InChIInChI=1S/C14H15NO3/c1-2-18-14(17)9-13(16)11-5-6-12-10(8-11)4-3-7-15-12/h3-8,13,16H,2,9H2,1H3/t13-/m0/s1
InChIKeyFLAPTKZKLCOVEW-ZDUSSCGKSA-N
XLogP2.22
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.22
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-quinolin-6-ylpropanoate?
The IUPAC name of ethyl (3S)-3-hydroxy-3-quinolin-6-ylpropanoate (CID 11447949) is ethyl (3S)-3-hydroxy-3-quinolin-6-ylpropanoate.
What is the SMILES notation for ethyl (3S)-3-hydroxy-3-quinolin-6-ylpropanoate?
The canonical SMILES for ethyl (3S)-3-hydroxy-3-quinolin-6-ylpropanoate is CCOC(=O)C[C@H](O)c1ccc2ncccc2c1.
What is the InChIKey of ethyl (3S)-3-hydroxy-3-quinolin-6-ylpropanoate?
The InChIKey is FLAPTKZKLCOVEW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H15NO3/c1-2-18-14(17)9-13(16)11-5-6-12-10(8-11)4-3-7-15-12/h3-8,13,16H,2,9H2,1H3/t13-/m0/s1.
What are the key properties of ethyl (3S)-3-hydroxy-3-quinolin-6-ylpropanoate?
ethyl (3S)-3-hydroxy-3-quinolin-6-ylpropanoate has a molecular weight of 245.28 g/mol, XLogP of 2.22, 4 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-quinolin-6-ylpropanoate is sourced from PubChem (CID 11447949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).