3-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propanoic acid

C13H19NO4 — CID 116953323

IUPAC3-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propanoic acid
SMILESCNC(c1ccc(OC)cc1OC)C(C)C(=O)O
InChIInChI=1S/C13H19NO4/c1-8(13(15)16)12(14-2)10-6-5-9(17-3)7-11(10)18-4/h5-8,12,14H,1-4H3,(H,15,16)
InChIKeyOLHCRRFHANLFBL-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.68
Rot. Bonds6

About 3-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propanoic acid

3-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propanoic acid (PubChem CID 116953323) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propanoic acid.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propanoic acid
PubChem CID116953323
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name3-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propanoic acid
SMILESCNC(c1ccc(OC)cc1OC)C(C)C(=O)O
InChIInChI=1S/C13H19NO4/c1-8(13(15)16)12(14-2)10-6-5-9(17-3)7-11(10)18-4/h5-8,12,14H,1-4H3,(H,15,16)
InChIKeyOLHCRRFHANLFBL-UHFFFAOYSA-N
XLogP1.68
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methoxyphenyl)-2-methyl-3-(methylamino)propanoic acid
CID 116953394
1-(2,4-dimethoxyphenyl)-1-(methylamino)propan-2-ol
CID 116859416
(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377
2-(2,4-dimethoxyphenyl)-2-(methylamino)acetamide
CID 60797020
2-(2,4-dimethoxyphenyl)-N'-methylpropanehydrazide
CID 116847010
3-(4-methoxy-3-propan-2-ylphenyl)-2-methyl-3-(methylamino)propanoic acid
CID 116953316
3-amino-1-(2,4-dimethoxyphenyl)-1-(methylamino)propan-2-ol
CID 116957643
2,3-diamino-3-(2,4-dimethoxyphenyl)propanoic acid
CID 116942209
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
2-(2-ethoxy-4-methoxyphenyl)propanoic acid
CID 117321879
(2R)-2-(2-bromo-5-methoxyphenyl)-2-(methylamino)acetic acid
CID 124681138
(2S)-2-(2-bromo-5-methoxyphenyl)-2-(methylamino)acetic acid
CID 124681142

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propanoic acid?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propanoic acid (CID 116953323) is 3-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propanoic acid.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propanoic acid?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propanoic acid is CNC(c1ccc(OC)cc1OC)C(C)C(=O)O.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propanoic acid?
The InChIKey is OLHCRRFHANLFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-8(13(15)16)12(14-2)10-6-5-9(17-3)7-11(10)18-4/h5-8,12,14H,1-4H3,(H,15,16).
What are the key properties of 3-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propanoic acid?
3-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propanoic acid has a molecular weight of 253.30 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propanoic acid is sourced from PubChem (CID 116953323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).