2-[4-(morpholin-4-ylmethyl)phenyl]propanoic acid

C14H19NO3 — CID 105345603

IUPAC2-[4-(morpholin-4-ylmethyl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C14H19NO3/c1-11(14(16)17)13-4-2-12(3-5-13)10-15-6-8-18-9-7-15/h2-5,11H,6-10H2,1H3,(H,16,17)
InChIKeyDSIFTPQYZPRNGN-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.71
Rot. Bonds4

About 2-[4-(morpholin-4-ylmethyl)phenyl]propanoic acid

2-[4-(morpholin-4-ylmethyl)phenyl]propanoic acid (PubChem CID 105345603) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[4-(morpholin-4-ylmethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-[4-(morpholin-4-ylmethyl)phenyl]propanoic acid
PubChem CID105345603
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-[4-(morpholin-4-ylmethyl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C14H19NO3/c1-11(14(16)17)13-4-2-12(3-5-13)10-15-6-8-18-9-7-15/h2-5,11H,6-10H2,1H3,(H,16,17)
InChIKeyDSIFTPQYZPRNGN-UHFFFAOYSA-N
XLogP1.71
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(morpholin-4-ylmethyl)phenyl]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-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]propanoic acid
CID 105345698
2-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanoic acid
CID 105345602
2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]propanoic acid
CID 105345641
2-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]propanoic acid
CID 117421534
2-[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]propanoic acid
CID 105345668
(2S)-2-(methylamino)-3-[4-(morpholin-4-ylmethyl)phenyl]propanoic acid
CID 67670933
2-[4-[(4-ethoxypiperidin-1-yl)methyl]phenyl]propanoic acid
CID 105345726
2-[4-[(3-carbamoylmorpholin-4-yl)methyl]phenyl]propanoic acid
CID 105346152
2-[4-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]phenyl]propanoic acid
CID 102959361
N-(3-methylbutan-2-yl)-4-(morpholin-4-ylmethyl)benzamide
CID 133244954
2-[4-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]phenyl]propanoic acid
CID 105345955
(3R)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylbutanamide
CID 26008683

Frequently Asked Questions

What is the IUPAC name of 2-[4-(morpholin-4-ylmethyl)phenyl]propanoic acid?
The IUPAC name of 2-[4-(morpholin-4-ylmethyl)phenyl]propanoic acid (CID 105345603) is 2-[4-(morpholin-4-ylmethyl)phenyl]propanoic acid.
What is the SMILES notation for 2-[4-(morpholin-4-ylmethyl)phenyl]propanoic acid?
The canonical SMILES for 2-[4-(morpholin-4-ylmethyl)phenyl]propanoic acid is CC(C(=O)O)c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 2-[4-(morpholin-4-ylmethyl)phenyl]propanoic acid?
The InChIKey is DSIFTPQYZPRNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-11(14(16)17)13-4-2-12(3-5-13)10-15-6-8-18-9-7-15/h2-5,11H,6-10H2,1H3,(H,16,17).
What are the key properties of 2-[4-(morpholin-4-ylmethyl)phenyl]propanoic acid?
2-[4-(morpholin-4-ylmethyl)phenyl]propanoic acid has a molecular weight of 249.31 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(morpholin-4-ylmethyl)phenyl]propanoic acid is sourced from PubChem (CID 105345603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).