4-[2-(2,4-dimethylphenyl)ethyl-methylamino]-3-hydroxybutanoic acid

C15H23NO3 — CID 115123138

IUPAC4-[2-(2,4-dimethylphenyl)ethyl-methylamino]-3-hydroxybutanoic acid
SMILESCc1ccc(CCN(C)CC(O)CC(=O)O)c(C)c1
InChIInChI=1S/C15H23NO3/c1-11-4-5-13(12(2)8-11)6-7-16(3)10-14(17)9-15(18)19/h4-5,8,14,17H,6-7,9-10H2,1-3H3,(H,18,19)
InChIKeyVPDMSZBUPPNWOG-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.61
Rot. Bonds7

About 4-[2-(2,4-dimethylphenyl)ethyl-methylamino]-3-hydroxybutanoic acid

4-[2-(2,4-dimethylphenyl)ethyl-methylamino]-3-hydroxybutanoic acid (PubChem CID 115123138) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 4-[2-(2,4-dimethylphenyl)ethyl-methylamino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[2-(2,4-dimethylphenyl)ethyl-methylamino]-3-hydroxybutanoic acid
PubChem CID115123138
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name4-[2-(2,4-dimethylphenyl)ethyl-methylamino]-3-hydroxybutanoic acid
SMILESCc1ccc(CCN(C)CC(O)CC(=O)O)c(C)c1
InChIInChI=1S/C15H23NO3/c1-11-4-5-13(12(2)8-11)6-7-16(3)10-14(17)9-15(18)19/h4-5,8,14,17H,6-7,9-10H2,1-3H3,(H,18,19)
InChIKeyVPDMSZBUPPNWOG-UHFFFAOYSA-N
XLogP1.61
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[2-(2,4-dimethylphenyl)ethyl-methylamino]-3-hydroxybutanoic 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

4-[2-(5-bromo-2-methylphenyl)ethyl-methylamino]-3-hydroxybutanoic acid
CID 115123144
4-[2-(2,5-dimethylphenyl)ethyl-methylamino]-3-methylbutanoic acid
CID 115220114
3-amino-4-[2-(2,5-dimethylphenyl)ethyl-methylamino]butanoic acid
CID 115241861
1-N-[2-(2,4-dimethylphenyl)ethyl]-1-N-methylpropane-1,2-diamine
CID 115196905
2-(2,4-dimethylphenyl)ethyl-methylcarbamic acid
CID 115171227
3-hydroxy-4-[methyl-[(2,3,4-trimethylphenyl)methyl]amino]butanoic acid
CID 115123086
3-(2,4-dimethylphenyl)propanoic acid
CID 3870217
3-[[2-(2,4-dimethylphenyl)-2-hydroxyethyl]-methylamino]propanoic acid
CID 82216029
3-hydroxy-4-[2-hydroxypropyl(methyl)amino]butanoic acid
CID 82768960
5-[(2,4-dimethylphenyl)methyl-methylamino]pentanoic acid
CID 115219079
4-[2-(5-bromo-2-methylphenyl)ethyl-methylamino]-3-methylbutanoic acid
CID 115220126
3-[2-(dimethylamino)ethylamino]-4-(2,4-dimethylphenyl)butanoic acid
CID 82350617

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4-dimethylphenyl)ethyl-methylamino]-3-hydroxybutanoic acid?
The IUPAC name of 4-[2-(2,4-dimethylphenyl)ethyl-methylamino]-3-hydroxybutanoic acid (CID 115123138) is 4-[2-(2,4-dimethylphenyl)ethyl-methylamino]-3-hydroxybutanoic acid.
What is the SMILES notation for 4-[2-(2,4-dimethylphenyl)ethyl-methylamino]-3-hydroxybutanoic acid?
The canonical SMILES for 4-[2-(2,4-dimethylphenyl)ethyl-methylamino]-3-hydroxybutanoic acid is Cc1ccc(CCN(C)CC(O)CC(=O)O)c(C)c1.
What is the InChIKey of 4-[2-(2,4-dimethylphenyl)ethyl-methylamino]-3-hydroxybutanoic acid?
The InChIKey is VPDMSZBUPPNWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11-4-5-13(12(2)8-11)6-7-16(3)10-14(17)9-15(18)19/h4-5,8,14,17H,6-7,9-10H2,1-3H3,(H,18,19).
What are the key properties of 4-[2-(2,4-dimethylphenyl)ethyl-methylamino]-3-hydroxybutanoic acid?
4-[2-(2,4-dimethylphenyl)ethyl-methylamino]-3-hydroxybutanoic acid has a molecular weight of 265.35 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4-dimethylphenyl)ethyl-methylamino]-3-hydroxybutanoic acid is sourced from PubChem (CID 115123138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).