2-[(3,5-dimethoxyphenyl)methyl-methylamino]butanoic acid

C14H21NO4 — CID 65068399

IUPAC2-[(3,5-dimethoxyphenyl)methyl-methylamino]butanoic acid
SMILESCCC(C(=O)O)N(C)Cc1cc(OC)cc(OC)c1
InChIInChI=1S/C14H21NO4/c1-5-13(14(16)17)15(2)9-10-6-11(18-3)8-12(7-10)19-4/h6-8,13H,5,9H2,1-4H3,(H,16,17)
InChIKeyJAXTYOVDMRJONC-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.00
Rot. Bonds7

About 2-[(3,5-dimethoxyphenyl)methyl-methylamino]butanoic acid

2-[(3,5-dimethoxyphenyl)methyl-methylamino]butanoic acid (PubChem CID 65068399) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-[(3,5-dimethoxyphenyl)methyl-methylamino]butanoic acid.

Molecular Properties

Compound Name2-[(3,5-dimethoxyphenyl)methyl-methylamino]butanoic acid
PubChem CID65068399
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name2-[(3,5-dimethoxyphenyl)methyl-methylamino]butanoic acid
SMILESCCC(C(=O)O)N(C)Cc1cc(OC)cc(OC)c1
InChIInChI=1S/C14H21NO4/c1-5-13(14(16)17)15(2)9-10-6-11(18-3)8-12(7-10)19-4/h6-8,13H,5,9H2,1-4H3,(H,16,17)
InChIKeyJAXTYOVDMRJONC-UHFFFAOYSA-N
XLogP2.00
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3,5-dimethoxyphenyl)methyl-methylamino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]butanoic acid
CID 65068401
2-[(4-methoxy-6-methyl-2-pyridinyl)methyl-methylamino]butanoic acid
CID 82892879
(2R)-2-[(4-fluoro-3-methoxyphenyl)methyl-methylamino]butanoic acid
CID 125443485
2-[(3-methoxyphenyl)methyl-methylamino]butanamide
CID 62899149
3-methoxy-2-[(4-methoxyphenyl)methyl-methylamino]propanoic acid
CID 103224591
(2R)-2-[(5-tert-butyl-3-pyridinyl)methyl-methylamino]butanoic acid
CID 167982812
(2S)-2-[methyl-[(4-methylsulfonylphenyl)methyl]amino]butanoic acid
CID 125118009
2-[(4-acetamidophenyl)methyl-methylamino]butanoic acid
CID 65068255
2-[3-[(dimethylamino)methyl]-5-methoxyphenyl]propanoic acid
CID 115004273
3-methoxy-5-[[methyl(pentan-3-yl)amino]methyl]aniline
CID 81149781
ethyl (2S)-2-[(3-methoxyphenyl)methyl-methylamino]-3-phenylpropanoate
CID 99809151
(2S)-2-(2,4-dimethoxy-N-methylanilino)butanoic acid
CID 100521202

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethoxyphenyl)methyl-methylamino]butanoic acid?
The IUPAC name of 2-[(3,5-dimethoxyphenyl)methyl-methylamino]butanoic acid (CID 65068399) is 2-[(3,5-dimethoxyphenyl)methyl-methylamino]butanoic acid.
What is the SMILES notation for 2-[(3,5-dimethoxyphenyl)methyl-methylamino]butanoic acid?
The canonical SMILES for 2-[(3,5-dimethoxyphenyl)methyl-methylamino]butanoic acid is CCC(C(=O)O)N(C)Cc1cc(OC)cc(OC)c1.
What is the InChIKey of 2-[(3,5-dimethoxyphenyl)methyl-methylamino]butanoic acid?
The InChIKey is JAXTYOVDMRJONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-5-13(14(16)17)15(2)9-10-6-11(18-3)8-12(7-10)19-4/h6-8,13H,5,9H2,1-4H3,(H,16,17).
What are the key properties of 2-[(3,5-dimethoxyphenyl)methyl-methylamino]butanoic acid?
2-[(3,5-dimethoxyphenyl)methyl-methylamino]butanoic acid has a molecular weight of 267.32 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethoxyphenyl)methyl-methylamino]butanoic acid is sourced from PubChem (CID 65068399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).