3-methoxy-2-[(4-methoxyphenyl)methyl-methylamino]propanoic acid

C13H19NO4 — CID 103224591

IUPAC3-methoxy-2-[(4-methoxyphenyl)methyl-methylamino]propanoic acid
SMILESCOCC(C(=O)O)N(C)Cc1ccc(OC)cc1
InChIInChI=1S/C13H19NO4/c1-14(12(9-17-2)13(15)16)8-10-4-6-11(18-3)7-5-10/h4-7,12H,8-9H2,1-3H3,(H,15,16)
InChIKeyYQIFFANEFRXTRC-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.23
Rot. Bonds7

About 3-methoxy-2-[(4-methoxyphenyl)methyl-methylamino]propanoic acid

3-methoxy-2-[(4-methoxyphenyl)methyl-methylamino]propanoic acid (PubChem CID 103224591) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-methoxy-2-[(4-methoxyphenyl)methyl-methylamino]propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-[(4-methoxyphenyl)methyl-methylamino]propanoic acid
PubChem CID103224591
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name3-methoxy-2-[(4-methoxyphenyl)methyl-methylamino]propanoic acid
SMILESCOCC(C(=O)O)N(C)Cc1ccc(OC)cc1
InChIInChI=1S/C13H19NO4/c1-14(12(9-17-2)13(15)16)8-10-4-6-11(18-3)7-5-10/h4-7,12H,8-9H2,1-3H3,(H,15,16)
InChIKeyYQIFFANEFRXTRC-UHFFFAOYSA-N
XLogP1.23
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]butanoic acid
CID 65068401
2-[2-(4-methoxyphenyl)ethyl-methylamino]propanoic acid
CID 62638720
2-[(3,5-dimethoxyphenyl)methyl-methylamino]butanoic acid
CID 65068399
2-[(2-fluorophenyl)methyl-methylamino]-3-methoxypropanoic acid
CID 103224583
3-[(4-methoxyphenyl)methyl-propan-2-ylamino]-2-methylpropanoic acid
CID 82328647
2-[2-(4-methoxyphenyl)ethyl-methylamino]propanoic acid;hydrochloride
CID 119913768
(2S)-3-(4-methoxyphenyl)-2-[methyl(prop-2-ynyl)amino]propanoic acid
CID 56602163
2-[(4-methoxyphenyl)methyl-methylamino]-2-phenylacetamide
CID 42895030
2-[(4-hydroxyphenyl)methyl-(4-methoxyphenoxy)carbonylamino]butanoic acid
CID 69435554
2-[4-(4-methoxyphenyl)butan-2-yl-methylamino]propanoic acid
CID 65059878
5-methoxy-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpentane-1,4-diamine
CID 103391759
(2R)-2-[benzyl(methyl)amino]-3-phenylpropanoic acid
CID 825996

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[(4-methoxyphenyl)methyl-methylamino]propanoic acid?
The IUPAC name of 3-methoxy-2-[(4-methoxyphenyl)methyl-methylamino]propanoic acid (CID 103224591) is 3-methoxy-2-[(4-methoxyphenyl)methyl-methylamino]propanoic acid.
What is the SMILES notation for 3-methoxy-2-[(4-methoxyphenyl)methyl-methylamino]propanoic acid?
The canonical SMILES for 3-methoxy-2-[(4-methoxyphenyl)methyl-methylamino]propanoic acid is COCC(C(=O)O)N(C)Cc1ccc(OC)cc1.
What is the InChIKey of 3-methoxy-2-[(4-methoxyphenyl)methyl-methylamino]propanoic acid?
The InChIKey is YQIFFANEFRXTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-14(12(9-17-2)13(15)16)8-10-4-6-11(18-3)7-5-10/h4-7,12H,8-9H2,1-3H3,(H,15,16).
What are the key properties of 3-methoxy-2-[(4-methoxyphenyl)methyl-methylamino]propanoic acid?
3-methoxy-2-[(4-methoxyphenyl)methyl-methylamino]propanoic acid has a molecular weight of 253.30 g/mol, XLogP of 1.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[(4-methoxyphenyl)methyl-methylamino]propanoic acid is sourced from PubChem (CID 103224591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).