3-(dimethylamino)-2-(4-fluorophenoxy)propanoic acid;hydrochloride

C11H15ClFNO3 — CID 2854066

IUPAC3-(dimethylamino)-2-(4-fluorophenoxy)propanoic acid;hydrochloride
SMILESCN(C)CC(Oc1ccc(F)cc1)C(=O)O.Cl
InChIInChI=1S/C11H14FNO3.ClH/c1-13(2)7-10(11(14)15)16-9-5-3-8(12)4-6-9;/h3-6,10H,7H2,1-2H3,(H,14,15);1H
InChIKeyUMOPCLMKLZVTMU-UHFFFAOYSA-N
MW263.70 g/mol
LogP1.64
Rot. Bonds5

About 3-(dimethylamino)-2-(4-fluorophenoxy)propanoic acid;hydrochloride

3-(dimethylamino)-2-(4-fluorophenoxy)propanoic acid;hydrochloride (PubChem CID 2854066) has the molecular formula C11H15ClFNO3 and a molecular weight of 263.70 g/mol. Its IUPAC name is 3-(dimethylamino)-2-(4-fluorophenoxy)propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-(dimethylamino)-2-(4-fluorophenoxy)propanoic acid;hydrochloride
PubChem CID2854066
Molecular FormulaC11H15ClFNO3
Molecular Weight263.70 g/mol
Exact Mass263.07
IUPAC Name3-(dimethylamino)-2-(4-fluorophenoxy)propanoic acid;hydrochloride
SMILESCN(C)CC(Oc1ccc(F)cc1)C(=O)O.Cl
InChIInChI=1S/C11H14FNO3.ClH/c1-13(2)7-10(11(14)15)16-9-5-3-8(12)4-6-9;/h3-6,10H,7H2,1-2H3,(H,14,15);1H
InChIKeyUMOPCLMKLZVTMU-UHFFFAOYSA-N
XLogP1.64
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.70
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-(dimethylamino)-2-(4-fluorophenoxy)propanoic acid
CID 7453420
2-(4-chlorophenoxy)-3-(4-fluorophenyl)propanoic acid
CID 57400967
(2S)-2-(4-fluorophenoxy)butanoate
CID 7269182
(2R)-2-(3,4-dimethylphenoxy)-3-(4-fluorophenyl)propanoic acid
CID 100532922
2-(4-fluorophenoxy)propanoic acid
CID 3872140
(2S)-N,N-diethyl-2-(4-fluorophenoxy)butanamide
CID 94016182
(2R)-2-(4-fluorophenoxy)butanoyl chloride
CID 51980396
2-[4-(4-fluorophenyl)phenoxy]hex-5-enoic acid
CID 11587497
(2R)-N-[3-(dimethylamino)propyl]-2-(4-fluorophenoxy)butanamide
CID 99952368
2-(4-fluorophenoxy)-3-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]propanoic acid
CID 120533474
3-[2-(4-fluorophenoxy)ethyl-methylamino]-2-methylpropanoic acid
CID 55007792
3-[3-(4-fluorophenoxy)propanoylamino]-2-methoxypropanoic acid
CID 106107648

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-2-(4-fluorophenoxy)propanoic acid;hydrochloride?
The IUPAC name of 3-(dimethylamino)-2-(4-fluorophenoxy)propanoic acid;hydrochloride (CID 2854066) is 3-(dimethylamino)-2-(4-fluorophenoxy)propanoic acid;hydrochloride.
What is the SMILES notation for 3-(dimethylamino)-2-(4-fluorophenoxy)propanoic acid;hydrochloride?
The canonical SMILES for 3-(dimethylamino)-2-(4-fluorophenoxy)propanoic acid;hydrochloride is CN(C)CC(Oc1ccc(F)cc1)C(=O)O.Cl.
What is the InChIKey of 3-(dimethylamino)-2-(4-fluorophenoxy)propanoic acid;hydrochloride?
The InChIKey is UMOPCLMKLZVTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3.ClH/c1-13(2)7-10(11(14)15)16-9-5-3-8(12)4-6-9;/h3-6,10H,7H2,1-2H3,(H,14,15);1H.
What are the key properties of 3-(dimethylamino)-2-(4-fluorophenoxy)propanoic acid;hydrochloride?
3-(dimethylamino)-2-(4-fluorophenoxy)propanoic acid;hydrochloride has a molecular weight of 263.70 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-2-(4-fluorophenoxy)propanoic acid;hydrochloride is sourced from PubChem (CID 2854066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).