2-[amino-(2,4-dimethoxy-3-methylphenyl)methyl]butanoic acid

C14H21NO4 — CID 116945089

IUPAC2-[amino-(2,4-dimethoxy-3-methylphenyl)methyl]butanoic acid
SMILESCCC(C(=O)O)C(N)c1ccc(OC)c(C)c1OC
InChIInChI=1S/C14H21NO4/c1-5-9(14(16)17)12(15)10-6-7-11(18-3)8(2)13(10)19-4/h6-7,9,12H,5,15H2,1-4H3,(H,16,17)
InChIKeyOPDVYHBOUQRUID-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.12
Rot. Bonds6

About 2-[amino-(2,4-dimethoxy-3-methylphenyl)methyl]butanoic acid

2-[amino-(2,4-dimethoxy-3-methylphenyl)methyl]butanoic acid (PubChem CID 116945089) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-[amino-(2,4-dimethoxy-3-methylphenyl)methyl]butanoic acid.

Molecular Properties

Compound Name2-[amino-(2,4-dimethoxy-3-methylphenyl)methyl]butanoic acid
PubChem CID116945089
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name2-[amino-(2,4-dimethoxy-3-methylphenyl)methyl]butanoic acid
SMILESCCC(C(=O)O)C(N)c1ccc(OC)c(C)c1OC
InChIInChI=1S/C14H21NO4/c1-5-9(14(16)17)12(15)10-6-7-11(18-3)8(2)13(10)19-4/h6-7,9,12H,5,15H2,1-4H3,(H,16,17)
InChIKeyOPDVYHBOUQRUID-UHFFFAOYSA-N
XLogP2.12
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[amino-(2,4-dimethoxy-3-methylphenyl)methyl]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-[amino-(2-methoxyphenyl)methyl]butanoic acid
CID 116945129
2-[amino-(2,4-dimethoxyphenyl)methyl]butanoic acid
CID 116945062
2-[hydroxy-(2,3,4-trimethoxyphenyl)methyl]butanoic acid
CID 62397627
2-amino-3-(2,4-dimethoxy-3-methylphenyl)-3-(methylamino)propanoic acid
CID 116957379
1-(2,4-dimethoxy-3-methylphenyl)-3-methylbutane-1,3-diamine
CID 116933582
3-(2,4-dimethoxy-3-methylphenyl)-4,4-dimethylpentan-1-amine
CID 112517349
2-[amino-(4-tert-butyl-2-methylphenyl)methyl]butanoic acid
CID 116945103
3-amino-3-(3,4-dimethoxy-2-methylphenyl)propanoic acid
CID 117350574
1-(2,4-dimethoxy-3-methylphenyl)-1-hydroxy-3-methylbutan-2-one
CID 116835996
2-amino-2-(2-ethyl-3,4-dimethoxyphenyl)acetic acid
CID 117350529
2-amino-3-(dimethylamino)-3-(4-methoxy-2,3-dimethylphenyl)propanoic acid
CID 116911478
(E)-4-(2,4-dimethoxy-3-methylphenyl)-4-(methylamino)but-2-enoic acid
CID 116956334

Frequently Asked Questions

What is the IUPAC name of 2-[amino-(2,4-dimethoxy-3-methylphenyl)methyl]butanoic acid?
The IUPAC name of 2-[amino-(2,4-dimethoxy-3-methylphenyl)methyl]butanoic acid (CID 116945089) is 2-[amino-(2,4-dimethoxy-3-methylphenyl)methyl]butanoic acid.
What is the SMILES notation for 2-[amino-(2,4-dimethoxy-3-methylphenyl)methyl]butanoic acid?
The canonical SMILES for 2-[amino-(2,4-dimethoxy-3-methylphenyl)methyl]butanoic acid is CCC(C(=O)O)C(N)c1ccc(OC)c(C)c1OC.
What is the InChIKey of 2-[amino-(2,4-dimethoxy-3-methylphenyl)methyl]butanoic acid?
The InChIKey is OPDVYHBOUQRUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-5-9(14(16)17)12(15)10-6-7-11(18-3)8(2)13(10)19-4/h6-7,9,12H,5,15H2,1-4H3,(H,16,17).
What are the key properties of 2-[amino-(2,4-dimethoxy-3-methylphenyl)methyl]butanoic acid?
2-[amino-(2,4-dimethoxy-3-methylphenyl)methyl]butanoic acid has a molecular weight of 267.32 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino-(2,4-dimethoxy-3-methylphenyl)methyl]butanoic acid is sourced from PubChem (CID 116945089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).