2-[2-(4-ethoxyphenoxy)ethyl-methylamino]propanoic acid;hydrochloride

C14H22ClNO4 — CID 119912728

IUPAC2-[2-(4-ethoxyphenoxy)ethyl-methylamino]propanoic acid;hydrochloride
SMILESCCOc1ccc(OCCN(C)C(C)C(=O)O)cc1.Cl
InChIInChI=1S/C14H21NO4.ClH/c1-4-18-12-5-7-13(8-6-12)19-10-9-15(3)11(2)14(16)17;/h5-8,11H,4,9-10H2,1-3H3,(H,16,17);1H
InChIKeyMLRFSBQWCQTTIJ-UHFFFAOYSA-N
MW303.79 g/mol
LogP2.29
Rot. Bonds8

About 2-[2-(4-ethoxyphenoxy)ethyl-methylamino]propanoic acid;hydrochloride

2-[2-(4-ethoxyphenoxy)ethyl-methylamino]propanoic acid;hydrochloride (PubChem CID 119912728) has the molecular formula C14H22ClNO4 and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-[2-(4-ethoxyphenoxy)ethyl-methylamino]propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-[2-(4-ethoxyphenoxy)ethyl-methylamino]propanoic acid;hydrochloride
PubChem CID119912728
Molecular FormulaC14H22ClNO4
Molecular Weight303.79 g/mol
Exact Mass303.12
IUPAC Name2-[2-(4-ethoxyphenoxy)ethyl-methylamino]propanoic acid;hydrochloride
SMILESCCOc1ccc(OCCN(C)C(C)C(=O)O)cc1.Cl
InChIInChI=1S/C14H21NO4.ClH/c1-4-18-12-5-7-13(8-6-12)19-10-9-15(3)11(2)14(16)17;/h5-8,11H,4,9-10H2,1-3H3,(H,16,17);1H
InChIKeyMLRFSBQWCQTTIJ-UHFFFAOYSA-N
XLogP2.29
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[2-(4-propoxyphenoxy)ethyl]amino]propanoic acid;hydrochloride
CID 119913696
2-[methyl-[2-(4-methylsulfonylphenoxy)ethyl]amino]propanoic acid
CID 119913162
2-[methyl-[2-[4-(trifluoromethoxy)phenoxy]ethyl]amino]propanoic acid
CID 119913329
2-[2-(3,5-dichlorophenoxy)ethyl-methylamino]propanoic acid
CID 119912857
2-[cyclopropyl-[2-(4-ethoxyphenoxy)ethyl]amino]propanoic acid
CID 122083066
2-[methyl-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]amino]propanoic acid;hydrochloride
CID 119912747
2-[methyl(2-naphthalen-1-yloxyethyl)amino]propanoic acid;hydrochloride
CID 119912986
2-[methyl(3-phenoxypropanoyl)amino]propanoic acid
CID 62626003
3-[2-(4-ethoxyphenoxy)ethyl-ethylamino]butanoic acid
CID 62826031
2-[2-(4-methoxyphenyl)ethyl-methylamino]propanoic acid;hydrochloride
CID 119913768
4-[2-[methyl(3-methylbutan-2-yl)amino]ethoxy]benzoic acid
CID 43570292
N-tert-butyl-2-[methyl(2-phenoxyethyl)amino]propanamide
CID 51242961

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethoxyphenoxy)ethyl-methylamino]propanoic acid;hydrochloride?
The IUPAC name of 2-[2-(4-ethoxyphenoxy)ethyl-methylamino]propanoic acid;hydrochloride (CID 119912728) is 2-[2-(4-ethoxyphenoxy)ethyl-methylamino]propanoic acid;hydrochloride.
What is the SMILES notation for 2-[2-(4-ethoxyphenoxy)ethyl-methylamino]propanoic acid;hydrochloride?
The canonical SMILES for 2-[2-(4-ethoxyphenoxy)ethyl-methylamino]propanoic acid;hydrochloride is CCOc1ccc(OCCN(C)C(C)C(=O)O)cc1.Cl.
What is the InChIKey of 2-[2-(4-ethoxyphenoxy)ethyl-methylamino]propanoic acid;hydrochloride?
The InChIKey is MLRFSBQWCQTTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4.ClH/c1-4-18-12-5-7-13(8-6-12)19-10-9-15(3)11(2)14(16)17;/h5-8,11H,4,9-10H2,1-3H3,(H,16,17);1H.
What are the key properties of 2-[2-(4-ethoxyphenoxy)ethyl-methylamino]propanoic acid;hydrochloride?
2-[2-(4-ethoxyphenoxy)ethyl-methylamino]propanoic acid;hydrochloride has a molecular weight of 303.79 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethoxyphenoxy)ethyl-methylamino]propanoic acid;hydrochloride is sourced from PubChem (CID 119912728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).