(2R)-2-[2-(thiomorpholin-4-ylmethyl)phenoxy]propanoic acid

C14H19NO3S — CID 99931808

IUPAC(2R)-2-[2-(thiomorpholin-4-ylmethyl)phenoxy]propanoic acid
SMILESC[C@@H](Oc1ccccc1CN1CCSCC1)C(=O)O
InChIInChI=1S/C14H19NO3S/c1-11(14(16)17)18-13-5-3-2-4-12(13)10-15-6-8-19-9-7-15/h2-5,11H,6-10H2,1H3,(H,16,17)/t11-/m1/s1
InChIKeyGRMYDNIFBNFPGV-LLVKDONJSA-N
MW281.38 g/mol
LogP2.09
Rot. Bonds5

About (2R)-2-[2-(thiomorpholin-4-ylmethyl)phenoxy]propanoic acid

(2R)-2-[2-(thiomorpholin-4-ylmethyl)phenoxy]propanoic acid (PubChem CID 99931808) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is (2R)-2-[2-(thiomorpholin-4-ylmethyl)phenoxy]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[2-(thiomorpholin-4-ylmethyl)phenoxy]propanoic acid
PubChem CID99931808
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name(2R)-2-[2-(thiomorpholin-4-ylmethyl)phenoxy]propanoic acid
SMILESC[C@@H](Oc1ccccc1CN1CCSCC1)C(=O)O
InChIInChI=1S/C14H19NO3S/c1-11(14(16)17)18-13-5-3-2-4-12(13)10-15-6-8-19-9-7-15/h2-5,11H,6-10H2,1H3,(H,16,17)/t11-/m1/s1
InChIKeyGRMYDNIFBNFPGV-LLVKDONJSA-N
XLogP2.09
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[2-(thiomorpholin-4-ylmethyl)phenoxy]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

2-[2-[[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methyl]phenoxy]propanoic acid
CID 91797410
(2R)-2-[2-[[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]phenoxy]propanoic acid
CID 99936767
(2R)-2-[2-[(2-ethyl-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl)methyl]phenoxy]propanoic acid
CID 97152498
2-[2-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenoxy]propanoic acid
CID 131935846
(2R)-1-[2-(piperidin-1-ylmethyl)phenoxy]-3-thiomorpholin-4-ylpropan-2-ol
CID 97280232
(2S)-2-[2-[(4-benzylsulfonylpiperazin-1-yl)methyl]-4-fluorophenoxy]propanoic acid
CID 11662061
1-[2-[(4-ethyl-1,4-diazepan-1-yl)methyl]phenoxy]-3-thiomorpholin-4-ylpropan-2-ol
CID 72900063
1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 119904478
(2-methylphenyl)-[2-(thiomorpholin-4-ylmethyl)phenyl]methanone
CID 24725405
1-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]ethanol
CID 111113750
(2R)-2-hydroxy-2-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]acetamide
CID 129489722
2-(2-ethoxyphenoxy)propanoic acid
CID 16771653

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(thiomorpholin-4-ylmethyl)phenoxy]propanoic acid?
The IUPAC name of (2R)-2-[2-(thiomorpholin-4-ylmethyl)phenoxy]propanoic acid (CID 99931808) is (2R)-2-[2-(thiomorpholin-4-ylmethyl)phenoxy]propanoic acid.
What is the SMILES notation for (2R)-2-[2-(thiomorpholin-4-ylmethyl)phenoxy]propanoic acid?
The canonical SMILES for (2R)-2-[2-(thiomorpholin-4-ylmethyl)phenoxy]propanoic acid is C[C@@H](Oc1ccccc1CN1CCSCC1)C(=O)O.
What is the InChIKey of (2R)-2-[2-(thiomorpholin-4-ylmethyl)phenoxy]propanoic acid?
The InChIKey is GRMYDNIFBNFPGV-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-11(14(16)17)18-13-5-3-2-4-12(13)10-15-6-8-19-9-7-15/h2-5,11H,6-10H2,1H3,(H,16,17)/t11-/m1/s1.
What are the key properties of (2R)-2-[2-(thiomorpholin-4-ylmethyl)phenoxy]propanoic acid?
(2R)-2-[2-(thiomorpholin-4-ylmethyl)phenoxy]propanoic acid has a molecular weight of 281.38 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(thiomorpholin-4-ylmethyl)phenoxy]propanoic acid is sourced from PubChem (CID 99931808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).