3-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]propanoic acid

C14H19NO4 — CID 43092392

IUPAC3-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]propanoic acid
SMILESCc1cc(C)c(OCC(=O)NCCC(=O)O)c(C)c1
InChIInChI=1S/C14H19NO4/c1-9-6-10(2)14(11(3)7-9)19-8-12(16)15-5-4-13(17)18/h6-7H,4-5,8H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyGDYBKSATEQRPNE-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.58
Rot. Bonds6

About 3-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]propanoic acid

3-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]propanoic acid (PubChem CID 43092392) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]propanoic acid
PubChem CID43092392
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name3-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]propanoic acid
SMILESCc1cc(C)c(OCC(=O)NCCC(=O)O)c(C)c1
InChIInChI=1S/C14H19NO4/c1-9-6-10(2)14(11(3)7-9)19-8-12(16)15-5-4-13(17)18/h6-7H,4-5,8H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyGDYBKSATEQRPNE-UHFFFAOYSA-N
XLogP1.58
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]ethylsulfanyl]acetic acid
CID 119241879
2-hydroxy-4-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]butanoic acid
CID 107831855
N-(3-phenylpropyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 112978152
N-(3-anilinopropyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 56586633
3-[4-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]phenyl]propanoic acid
CID 119252301
(2S)-2-hydroxy-3-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]propanoic acid
CID 107832946
N-[2-(4-aminophenyl)ethyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 119548920
N-(2-amino-2-methylpropyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 119628968
methyl (E)-5-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]pent-2-enoate
CID 146076901
N-(2,3-dihydroxypropyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 66177734
N-[2-(methylamino)propyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 120828911
2-(2-amino-4,6-dimethylphenoxy)-N-(2-methoxyethyl)acetamide
CID 62098346

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]propanoic acid?
The IUPAC name of 3-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]propanoic acid (CID 43092392) is 3-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]propanoic acid?
The canonical SMILES for 3-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]propanoic acid is Cc1cc(C)c(OCC(=O)NCCC(=O)O)c(C)c1.
What is the InChIKey of 3-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]propanoic acid?
The InChIKey is GDYBKSATEQRPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-9-6-10(2)14(11(3)7-9)19-8-12(16)15-5-4-13(17)18/h6-7H,4-5,8H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 3-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]propanoic acid?
3-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]propanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]propanoic acid is sourced from PubChem (CID 43092392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).