2-acetamido-3-(4-butan-2-ylphenoxy)propanoic acid

C15H21NO4 — CID 107663499

IUPAC2-acetamido-3-(4-butan-2-ylphenoxy)propanoic acid
SMILESCCC(C)c1ccc(OCC(NC(C)=O)C(=O)O)cc1
InChIInChI=1S/C15H21NO4/c1-4-10(2)12-5-7-13(8-6-12)20-9-14(15(18)19)16-11(3)17/h5-8,10,14H,4,9H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyAZICPGOLYAZCNU-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.17
Rot. Bonds7

About 2-acetamido-3-(4-butan-2-ylphenoxy)propanoic acid

2-acetamido-3-(4-butan-2-ylphenoxy)propanoic acid (PubChem CID 107663499) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-acetamido-3-(4-butan-2-ylphenoxy)propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-(4-butan-2-ylphenoxy)propanoic acid
PubChem CID107663499
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-acetamido-3-(4-butan-2-ylphenoxy)propanoic acid
SMILESCCC(C)c1ccc(OCC(NC(C)=O)C(=O)O)cc1
InChIInChI=1S/C15H21NO4/c1-4-10(2)12-5-7-13(8-6-12)20-9-14(15(18)19)16-11(3)17/h5-8,10,14H,4,9H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyAZICPGOLYAZCNU-UHFFFAOYSA-N
XLogP2.17
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-3-(4-fluorophenoxy)propanoic acid
CID 65442176
2-acetamido-3-(4-methylsulfanylphenoxy)propanoic acid
CID 65441613
3-(4-butan-2-ylphenoxy)-2-methylpropanamide
CID 107669112
1-(4-butan-2-ylphenoxy)propan-2-one
CID 59101826
2-amino-3-(4-butan-2-ylphenoxy)propanamide
CID 107663516
2-acetamido-3-(3-chloro-4-fluorophenoxy)propanoic acid
CID 65443573
methyl 2-acetamido-3-(4-methylphenoxy)propanoate
CID 65444167
3-(4-butan-2-ylphenoxy)-N-propan-2-ylpropanamide
CID 107669047
3-(4-butan-2-ylphenoxy)-2-(ethylamino)-2-methylpropanamide
CID 107667956
2-acetamido-3-[3-(diethylamino)phenoxy]propanoic acid
CID 65444187
N-(4-butan-2-ylphenyl)-4-(2-methylpropoxy)benzamide
CID 23966812
1-(4-butan-2-ylphenoxy)butan-2-amine
CID 107664163

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(4-butan-2-ylphenoxy)propanoic acid?
The IUPAC name of 2-acetamido-3-(4-butan-2-ylphenoxy)propanoic acid (CID 107663499) is 2-acetamido-3-(4-butan-2-ylphenoxy)propanoic acid.
What is the SMILES notation for 2-acetamido-3-(4-butan-2-ylphenoxy)propanoic acid?
The canonical SMILES for 2-acetamido-3-(4-butan-2-ylphenoxy)propanoic acid is CCC(C)c1ccc(OCC(NC(C)=O)C(=O)O)cc1.
What is the InChIKey of 2-acetamido-3-(4-butan-2-ylphenoxy)propanoic acid?
The InChIKey is AZICPGOLYAZCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-4-10(2)12-5-7-13(8-6-12)20-9-14(15(18)19)16-11(3)17/h5-8,10,14H,4,9H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-acetamido-3-(4-butan-2-ylphenoxy)propanoic acid?
2-acetamido-3-(4-butan-2-ylphenoxy)propanoic acid has a molecular weight of 279.34 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(4-butan-2-ylphenoxy)propanoic acid is sourced from PubChem (CID 107663499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).