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

C13H19NO3 — CID 62638720

IUPAC2-[2-(4-methoxyphenyl)ethyl-methylamino]propanoic acid
SMILESCOc1ccc(CCN(C)C(C)C(=O)O)cc1
InChIInChI=1S/C13H19NO3/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)
InChIKeyGCBUOWNHJUYJAF-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.64
Rot. Bonds6

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

2-[2-(4-methoxyphenyl)ethyl-methylamino]propanoic acid (PubChem CID 62638720) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)ethyl-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)ethyl-methylamino]propanoic acid
PubChem CID62638720
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-[2-(4-methoxyphenyl)ethyl-methylamino]propanoic acid
SMILESCOc1ccc(CCN(C)C(C)C(=O)O)cc1
InChIInChI=1S/C13H19NO3/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)
InChIKeyGCBUOWNHJUYJAF-UHFFFAOYSA-N
XLogP1.64
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-methoxyphenyl)ethyl-methylamino]propanoic acid;hydrochloride
CID 119913768
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-[2-(4-methoxyphenyl)ethyl-methylamino]-3-methylbutan-1-ol
CID 115137771
2-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]propanoic acid
CID 119912482
2-N-[2-(4-methoxyphenyl)ethyl]-2-N-methylpropane-1,2-diamine;hydrochloride
CID 119924846
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
3-methoxy-2-[(4-methoxyphenyl)methyl-methylamino]propanoic acid
CID 103224591

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)ethyl-methylamino]propanoic acid?
The IUPAC name of 2-[2-(4-methoxyphenyl)ethyl-methylamino]propanoic acid (CID 62638720) is 2-[2-(4-methoxyphenyl)ethyl-methylamino]propanoic acid.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)ethyl-methylamino]propanoic acid?
The canonical SMILES for 2-[2-(4-methoxyphenyl)ethyl-methylamino]propanoic acid is COc1ccc(CCN(C)C(C)C(=O)O)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)ethyl-methylamino]propanoic acid?
The InChIKey is GCBUOWNHJUYJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/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).
What are the key properties of 2-[2-(4-methoxyphenyl)ethyl-methylamino]propanoic acid?
2-[2-(4-methoxyphenyl)ethyl-methylamino]propanoic acid has a molecular weight of 237.30 g/mol, XLogP of 1.64, 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 is sourced from PubChem (CID 62638720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).