2-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]propanoic acid

C14H18FNO3 — CID 117421534

IUPAC2-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(CN2CCOCC2)c(F)c1
InChIInChI=1S/C14H18FNO3/c1-10(14(17)18)11-2-3-12(13(15)8-11)9-16-4-6-19-7-5-16/h2-3,8,10H,4-7,9H2,1H3,(H,17,18)
InChIKeyMZENWOSKLGDSLO-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.85
Rot. Bonds4

About 2-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]propanoic acid

2-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]propanoic acid (PubChem CID 117421534) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]propanoic acid
PubChem CID117421534
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name2-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(CN2CCOCC2)c(F)c1
InChIInChI=1S/C14H18FNO3/c1-10(14(17)18)11-2-3-12(13(15)8-11)9-16-4-6-19-7-5-16/h2-3,8,10H,4-7,9H2,1H3,(H,17,18)
InChIKeyMZENWOSKLGDSLO-UHFFFAOYSA-N
XLogP1.85
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-4-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]butanoic acid
CID 117477615
2-[4-(morpholin-4-ylmethyl)phenyl]propanoic acid
CID 105345603
ethyl 2-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2-oxoacetate
CID 117475900
2-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2-methylpropan-1-ol
CID 117422004
3-[3-fluoro-4-(1,4-oxazepan-4-ylmethyl)phenyl]prop-2-enoic acid
CID 76979620
1-ethyl-4-[(2-fluoro-4-propan-2-ylphenyl)methyl]piperazine
CID 145147205
3-amino-3-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]propanoic acid
CID 117481323
4-[(2-chloro-4-propan-2-ylphenyl)methyl]morpholine;ethane
CID 143579646
1-[3-fluoro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanamine
CID 123976437
(E)-3-[5-fluoro-2-(morpholin-4-ylmethyl)phenyl]prop-2-enoic acid
CID 109375365
2,6-bis(morpholin-4-ylmethyl)-4-propan-2-ylphenol
CID 3338042
5-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2H-triazole-4-carboxamide
CID 169402641

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]propanoic acid?
The IUPAC name of 2-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]propanoic acid (CID 117421534) is 2-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]propanoic acid.
What is the SMILES notation for 2-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]propanoic acid?
The canonical SMILES for 2-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]propanoic acid is CC(C(=O)O)c1ccc(CN2CCOCC2)c(F)c1.
What is the InChIKey of 2-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]propanoic acid?
The InChIKey is MZENWOSKLGDSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-10(14(17)18)11-2-3-12(13(15)8-11)9-16-4-6-19-7-5-16/h2-3,8,10H,4-7,9H2,1H3,(H,17,18).
What are the key properties of 2-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]propanoic acid?
2-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]propanoic acid has a molecular weight of 267.30 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]propanoic acid is sourced from PubChem (CID 117421534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).