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

C13H20ClNO3 — CID 119913768

IUPAC2-[2-(4-methoxyphenyl)ethyl-methylamino]propanoic acid;hydrochloride
SMILESCOc1ccc(CCN(C)C(C)C(=O)O)cc1.Cl
InChIInChI=1S/C13H19NO3.ClH/c1-10(13(15)16)14(2)9-8-11-4-6-12(17-3)7-5-11;/h4-7,10H,8-9H2,1-3H3,(H,15,16);1H
InChIKeyGGAHUWIGVPSEKA-UHFFFAOYSA-N
MW273.76 g/mol
LogP2.06
Rot. Bonds6

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

2-[2-(4-methoxyphenyl)ethyl-methylamino]propanoic acid;hydrochloride (PubChem CID 119913768) has the molecular formula C13H20ClNO3 and a molecular weight of 273.76 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)ethyl-methylamino]propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)ethyl-methylamino]propanoic acid;hydrochloride
PubChem CID119913768
Molecular FormulaC13H20ClNO3
Molecular Weight273.76 g/mol
Exact Mass273.11
IUPAC Name2-[2-(4-methoxyphenyl)ethyl-methylamino]propanoic acid;hydrochloride
SMILESCOc1ccc(CCN(C)C(C)C(=O)O)cc1.Cl
InChIInChI=1S/C13H19NO3.ClH/c1-10(13(15)16)14(2)9-8-11-4-6-12(17-3)7-5-11;/h4-7,10H,8-9H2,1-3H3,(H,15,16);1H
InChIKeyGGAHUWIGVPSEKA-UHFFFAOYSA-N
XLogP2.06
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-methoxyphenyl)ethyl-methylamino]propanoic acid
CID 62638720
2-[4-(4-methoxyphenyl)butan-2-yl-methylamino]propanoic acid
CID 65059878
2-[4-(4-methoxyphenyl)butanoyl-methylamino]propanoic acid
CID 119208828
2-[2-(3-ethyl-4-methoxyphenyl)ethyl-methylamino]propanoic acid
CID 117042024
2-[2-(4-butan-2-ylphenyl)ethyl-methylamino]propanoic acid
CID 117042008
2-N-[2-(4-methoxyphenyl)ethyl]-2-N-methylpropane-1,2-diamine;hydrochloride
CID 119924846
2-[2-(4-methoxyphenyl)ethyl-methylamino]-3-methylbutan-1-ol
CID 115137771
2-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]propanoic acid
CID 119912482
2-[methyl(2-phenylethyl)amino]-1-phenylpropan-1-one
CID 65487247
1-[2-(4-methoxyphenyl)ethyl]-1-methylurea
CID 115168599
2-[2-(2,3-dihydro-1H-inden-5-yl)ethyl-methylamino]propanoic acid
CID 117042005
2-[methyl-[3-(2-phenylethoxy)propyl]amino]propanoic acid;hydrochloride
CID 119912610

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)ethyl-methylamino]propanoic acid;hydrochloride?
The IUPAC name of 2-[2-(4-methoxyphenyl)ethyl-methylamino]propanoic acid;hydrochloride (CID 119913768) is 2-[2-(4-methoxyphenyl)ethyl-methylamino]propanoic acid;hydrochloride.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)ethyl-methylamino]propanoic acid;hydrochloride?
The canonical SMILES for 2-[2-(4-methoxyphenyl)ethyl-methylamino]propanoic acid;hydrochloride is COc1ccc(CCN(C)C(C)C(=O)O)cc1.Cl.
What is the InChIKey of 2-[2-(4-methoxyphenyl)ethyl-methylamino]propanoic acid;hydrochloride?
The InChIKey is GGAHUWIGVPSEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3.ClH/c1-10(13(15)16)14(2)9-8-11-4-6-12(17-3)7-5-11;/h4-7,10H,8-9H2,1-3H3,(H,15,16);1H.
What are the key properties of 2-[2-(4-methoxyphenyl)ethyl-methylamino]propanoic acid;hydrochloride?
2-[2-(4-methoxyphenyl)ethyl-methylamino]propanoic acid;hydrochloride has a molecular weight of 273.76 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)ethyl-methylamino]propanoic acid;hydrochloride is sourced from PubChem (CID 119913768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).