2-[methyl-[2-(4-propoxyphenoxy)ethyl]amino]propanoic acid;hydrochloride

C15H24ClNO4 — CID 119913696

IUPAC2-[methyl-[2-(4-propoxyphenoxy)ethyl]amino]propanoic acid;hydrochloride
SMILESCCCOc1ccc(OCCN(C)C(C)C(=O)O)cc1.Cl
InChIInChI=1S/C15H23NO4.ClH/c1-4-10-19-13-5-7-14(8-6-13)20-11-9-16(3)12(2)15(17)18;/h5-8,12H,4,9-11H2,1-3H3,(H,17,18);1H
InChIKeyAFOKFGZYSQZVKK-UHFFFAOYSA-N
MW317.81 g/mol
LogP2.68
Rot. Bonds9

About 2-[methyl-[2-(4-propoxyphenoxy)ethyl]amino]propanoic acid;hydrochloride

2-[methyl-[2-(4-propoxyphenoxy)ethyl]amino]propanoic acid;hydrochloride (PubChem CID 119913696) has the molecular formula C15H24ClNO4 and a molecular weight of 317.81 g/mol. Its IUPAC name is 2-[methyl-[2-(4-propoxyphenoxy)ethyl]amino]propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-[methyl-[2-(4-propoxyphenoxy)ethyl]amino]propanoic acid;hydrochloride
PubChem CID119913696
Molecular FormulaC15H24ClNO4
Molecular Weight317.81 g/mol
Exact Mass317.14
IUPAC Name2-[methyl-[2-(4-propoxyphenoxy)ethyl]amino]propanoic acid;hydrochloride
SMILESCCCOc1ccc(OCCN(C)C(C)C(=O)O)cc1.Cl
InChIInChI=1S/C15H23NO4.ClH/c1-4-10-19-13-5-7-14(8-6-13)20-11-9-16(3)12(2)15(17)18;/h5-8,12H,4,9-11H2,1-3H3,(H,17,18);1H
InChIKeyAFOKFGZYSQZVKK-UHFFFAOYSA-N
XLogP2.68
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.81
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-ethoxyphenoxy)ethyl-methylamino]propanoic acid;hydrochloride
CID 119912728
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-[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-[4-[2-[methyl(pentan-2-yl)amino]ethoxy]phenyl]acetic acid
CID 63066904
2-(N-(4-methylphenyl)sulfonyl-4-propoxyanilino)propanoic acid
CID 50895151
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
ethane;2-methyl-3-(4-propoxyphenyl)propanoic acid
CID 144819636

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(4-propoxyphenoxy)ethyl]amino]propanoic acid;hydrochloride?
The IUPAC name of 2-[methyl-[2-(4-propoxyphenoxy)ethyl]amino]propanoic acid;hydrochloride (CID 119913696) is 2-[methyl-[2-(4-propoxyphenoxy)ethyl]amino]propanoic acid;hydrochloride.
What is the SMILES notation for 2-[methyl-[2-(4-propoxyphenoxy)ethyl]amino]propanoic acid;hydrochloride?
The canonical SMILES for 2-[methyl-[2-(4-propoxyphenoxy)ethyl]amino]propanoic acid;hydrochloride is CCCOc1ccc(OCCN(C)C(C)C(=O)O)cc1.Cl.
What is the InChIKey of 2-[methyl-[2-(4-propoxyphenoxy)ethyl]amino]propanoic acid;hydrochloride?
The InChIKey is AFOKFGZYSQZVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4.ClH/c1-4-10-19-13-5-7-14(8-6-13)20-11-9-16(3)12(2)15(17)18;/h5-8,12H,4,9-11H2,1-3H3,(H,17,18);1H.
What are the key properties of 2-[methyl-[2-(4-propoxyphenoxy)ethyl]amino]propanoic acid;hydrochloride?
2-[methyl-[2-(4-propoxyphenoxy)ethyl]amino]propanoic acid;hydrochloride has a molecular weight of 317.81 g/mol, XLogP of 2.68, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(4-propoxyphenoxy)ethyl]amino]propanoic acid;hydrochloride is sourced from PubChem (CID 119913696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).