2-(10-ethylphenothiazin-4-yl)propanoic acid

C17H17NO2S — CID 19063594

IUPAC2-(10-ethylphenothiazin-4-yl)propanoic acid
SMILESCCN1c2ccccc2Sc2c(C(C)C(=O)O)cccc21
InChIInChI=1S/C17H17NO2S/c1-3-18-13-8-4-5-10-15(13)21-16-12(11(2)17(19)20)7-6-9-14(16)18/h4-11H,3H2,1-2H3,(H,19,20)
InChIKeySLWXDCLDIQVKHA-UHFFFAOYSA-N
MW299.40 g/mol
LogP4.50
Rot. Bonds3

About 2-(10-ethylphenothiazin-4-yl)propanoic acid

2-(10-ethylphenothiazin-4-yl)propanoic acid (PubChem CID 19063594) has the molecular formula C17H17NO2S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-(10-ethylphenothiazin-4-yl)propanoic acid.

Molecular Properties

Compound Name2-(10-ethylphenothiazin-4-yl)propanoic acid
PubChem CID19063594
Molecular FormulaC17H17NO2S
Molecular Weight299.40 g/mol
Exact Mass299.10
IUPAC Name2-(10-ethylphenothiazin-4-yl)propanoic acid
SMILESCCN1c2ccccc2Sc2c(C(C)C(=O)O)cccc21
InChIInChI=1S/C17H17NO2S/c1-3-18-13-8-4-5-10-15(13)21-16-12(11(2)17(19)20)7-6-9-14(16)18/h4-11H,3H2,1-2H3,(H,19,20)
InChIKeySLWXDCLDIQVKHA-UHFFFAOYSA-N
XLogP4.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(10-ethylphenothiazin-4-yl)propanoic acid?
The IUPAC name of 2-(10-ethylphenothiazin-4-yl)propanoic acid (CID 19063594) is 2-(10-ethylphenothiazin-4-yl)propanoic acid.
What is the SMILES notation for 2-(10-ethylphenothiazin-4-yl)propanoic acid?
The canonical SMILES for 2-(10-ethylphenothiazin-4-yl)propanoic acid is CCN1c2ccccc2Sc2c(C(C)C(=O)O)cccc21.
What is the InChIKey of 2-(10-ethylphenothiazin-4-yl)propanoic acid?
The InChIKey is SLWXDCLDIQVKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2S/c1-3-18-13-8-4-5-10-15(13)21-16-12(11(2)17(19)20)7-6-9-14(16)18/h4-11H,3H2,1-2H3,(H,19,20).
What are the key properties of 2-(10-ethylphenothiazin-4-yl)propanoic acid?
2-(10-ethylphenothiazin-4-yl)propanoic acid has a molecular weight of 299.40 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-ethylphenothiazin-4-yl)propanoic acid is sourced from PubChem (CID 19063594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).