2-hydroxy-4-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]butanoic acid

C15H21NO5 — CID 107831855

IUPAC2-hydroxy-4-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]butanoic acid
SMILESCc1cc(C)c(OCC(=O)NCCC(O)C(=O)O)c(C)c1
InChIInChI=1S/C15H21NO5/c1-9-6-10(2)14(11(3)7-9)21-8-13(18)16-5-4-12(17)15(19)20/h6-7,12,17H,4-5,8H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyHEOAKCGSVAAXRO-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.94
Rot. Bonds7

About 2-hydroxy-4-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]butanoic acid

2-hydroxy-4-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]butanoic acid (PubChem CID 107831855) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-hydroxy-4-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]butanoic acid
PubChem CID107831855
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC Name2-hydroxy-4-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]butanoic acid
SMILESCc1cc(C)c(OCC(=O)NCCC(O)C(=O)O)c(C)c1
InChIInChI=1S/C15H21NO5/c1-9-6-10(2)14(11(3)7-9)21-8-13(18)16-5-4-12(17)15(19)20/h6-7,12,17H,4-5,8H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyHEOAKCGSVAAXRO-UHFFFAOYSA-N
XLogP0.94
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-hydroxy-4-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]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

(2S)-2-hydroxy-3-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]propanoic acid
CID 107832946
3-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]propanoic acid
CID 43092392
N-(2,3-dihydroxypropyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 66177734
2-[2-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]ethylsulfanyl]acetic acid
CID 119241879
2-hydroxy-4-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid
CID 107831912
N-(3-phenylpropyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 112978152
N-(2-hydroxy-4-methylpentyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 103770722
(2S)-4-[[2-(4-ethoxyphenoxy)acetyl]amino]-2-hydroxybutanoic acid
CID 107834053
N-(3-anilinopropyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 56586633
N-[2-(methylamino)propyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 120828911
(2S)-4-[[2-(2,5-dimethylphenyl)acetyl]amino]-2-hydroxybutanoic acid
CID 114006651
N-[2-(4-aminophenyl)ethyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 119548920

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]butanoic acid?
The IUPAC name of 2-hydroxy-4-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]butanoic acid (CID 107831855) is 2-hydroxy-4-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]butanoic acid.
What is the SMILES notation for 2-hydroxy-4-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]butanoic acid?
The canonical SMILES for 2-hydroxy-4-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]butanoic acid is Cc1cc(C)c(OCC(=O)NCCC(O)C(=O)O)c(C)c1.
What is the InChIKey of 2-hydroxy-4-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]butanoic acid?
The InChIKey is HEOAKCGSVAAXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-9-6-10(2)14(11(3)7-9)21-8-13(18)16-5-4-12(17)15(19)20/h6-7,12,17H,4-5,8H2,1-3H3,(H,16,18)(H,19,20).
What are the key properties of 2-hydroxy-4-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]butanoic acid?
2-hydroxy-4-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]butanoic acid has a molecular weight of 295.34 g/mol, XLogP of 0.94, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]butanoic acid is sourced from PubChem (CID 107831855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).