2-(7-hydroxy-10-methylphenothiazin-2-yl)propanoic acid

C16H15NO3S — CID 3050291

IUPAC2-(7-hydroxy-10-methylphenothiazin-2-yl)propanoic acid
SMILESCC(C(=O)O)c1ccc2c(c1)N(C)c1ccc(O)cc1S2
InChIInChI=1S/C16H15NO3S/c1-9(16(19)20)10-3-6-14-13(7-10)17(2)12-5-4-11(18)8-15(12)21-14/h3-9,18H,1-2H3,(H,19,20)
InChIKeyQXTZRBBVCGYBDE-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.81
Rot. Bonds2

About 2-(7-hydroxy-10-methylphenothiazin-2-yl)propanoic acid

2-(7-hydroxy-10-methylphenothiazin-2-yl)propanoic acid (PubChem CID 3050291) has the molecular formula C16H15NO3S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-(7-hydroxy-10-methylphenothiazin-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(7-hydroxy-10-methylphenothiazin-2-yl)propanoic acid
PubChem CID3050291
Molecular FormulaC16H15NO3S
Molecular Weight301.37 g/mol
Exact Mass301.08
IUPAC Name2-(7-hydroxy-10-methylphenothiazin-2-yl)propanoic acid
SMILESCC(C(=O)O)c1ccc2c(c1)N(C)c1ccc(O)cc1S2
InChIInChI=1S/C16H15NO3S/c1-9(16(19)20)10-3-6-14-13(7-10)17(2)12-5-4-11(18)8-15(12)21-14/h3-9,18H,1-2H3,(H,19,20)
InChIKeyQXTZRBBVCGYBDE-UHFFFAOYSA-N
XLogP3.81
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(7-hydroxy-10-methylphenothiazin-2-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Metiazinic Acid
CID 4164
Protizinic Acid
CID 71862
7-Methoxy-alpha,10-dimethyl-10H-phenothiazine-2-acetaldehyde
CID 20516237
Protizinic acid, (S)-
CID 90479106
1-O-ethyl 3-O-methyl 2-(7-methoxy-10-methylphenothiazin-2-yl)-2-methylpropanedioate
CID 134990211
2-(7-Methoxy-10-methylphenothiazin-2-yl)acetic acid
CID 134990446
1-O-ethyl 3-O-methyl 2-(7-methoxy-10-methylphenothiazin-2-yl)propanedioate
CID 134990678
Methyl 2-(7-methoxy-10-methylphenothiazin-2-yl)acetate
CID 134990679
(alphaR)-7-Methoxy-alpha,10-dimethyl-10H-phenothiazine-2-acetic acid
CID 90479642
7-Hydroxy-acepromazine
CID 525234
3,4-dihydro-2-isopropyl-4-methyl-2-(2-hydroxyphenyl)-2H-1,4-benzothiazin-3-one
CID 13961088
2-(10-Ethylphenothiazin-4-yl)propanoic acid
CID 19063594

Frequently Asked Questions

What is the IUPAC name of 2-(7-hydroxy-10-methylphenothiazin-2-yl)propanoic acid?
The IUPAC name of 2-(7-hydroxy-10-methylphenothiazin-2-yl)propanoic acid (CID 3050291) is 2-(7-hydroxy-10-methylphenothiazin-2-yl)propanoic acid.
What is the SMILES notation for 2-(7-hydroxy-10-methylphenothiazin-2-yl)propanoic acid?
The canonical SMILES for 2-(7-hydroxy-10-methylphenothiazin-2-yl)propanoic acid is CC(C(=O)O)c1ccc2c(c1)N(C)c1ccc(O)cc1S2.
What is the InChIKey of 2-(7-hydroxy-10-methylphenothiazin-2-yl)propanoic acid?
The InChIKey is QXTZRBBVCGYBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S/c1-9(16(19)20)10-3-6-14-13(7-10)17(2)12-5-4-11(18)8-15(12)21-14/h3-9,18H,1-2H3,(H,19,20).
What are the key properties of 2-(7-hydroxy-10-methylphenothiazin-2-yl)propanoic acid?
2-(7-hydroxy-10-methylphenothiazin-2-yl)propanoic acid has a molecular weight of 301.37 g/mol, XLogP of 3.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-hydroxy-10-methylphenothiazin-2-yl)propanoic acid is sourced from PubChem (CID 3050291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).