2-acetamido-3-(2-prop-2-enylphenoxy)propanoic acid

C14H17NO4 — CID 65442202

IUPAC2-acetamido-3-(2-prop-2-enylphenoxy)propanoic acid
SMILESC=CCc1ccccc1OCC(NC(C)=O)C(=O)O
InChIInChI=1S/C14H17NO4/c1-3-6-11-7-4-5-8-13(11)19-9-12(14(17)18)15-10(2)16/h3-5,7-8,12H,1,6,9H2,2H3,(H,15,16)(H,17,18)
InChIKeyJYJTWVLIXADXOG-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.38
Rot. Bonds7

About 2-acetamido-3-(2-prop-2-enylphenoxy)propanoic acid

2-acetamido-3-(2-prop-2-enylphenoxy)propanoic acid (PubChem CID 65442202) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-acetamido-3-(2-prop-2-enylphenoxy)propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-(2-prop-2-enylphenoxy)propanoic acid
PubChem CID65442202
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name2-acetamido-3-(2-prop-2-enylphenoxy)propanoic acid
SMILESC=CCc1ccccc1OCC(NC(C)=O)C(=O)O
InChIInChI=1S/C14H17NO4/c1-3-6-11-7-4-5-8-13(11)19-9-12(14(17)18)15-10(2)16/h3-5,7-8,12H,1,6,9H2,2H3,(H,15,16)(H,17,18)
InChIKeyJYJTWVLIXADXOG-UHFFFAOYSA-N
XLogP1.38
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-acetamido-3-(2-methoxyphenoxy)propanoic acid
CID 65443160
2-acetamido-3-(2-bromophenoxy)propanoic acid
CID 65442968
2-acetamido-3-(2-chlorophenoxy)propanoic acid
CID 65443959
2-acetamido-3-(2-iodophenoxy)propanoic acid
CID 65443376
2-acetamido-3-(2-methylsulfanylphenoxy)propanoic acid
CID 65441415
2-acetamido-3-[2-(trifluoromethyl)phenoxy]propanoic acid
CID 65442776
methyl 2-bromo-3-(2-prop-2-enylphenoxy)propanoate
CID 81092362
2,3-dihydroxybutanedioic acid;1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 66615141
2-methyl-4-(2-prop-2-enylphenoxy)but-2-enoic acid
CID 77075220
2-acetamido-3-(2-butoxyphenyl)propanoic acid
CID 54846912
(3R)-3-(2-prop-2-enylphenoxy)butanoic acid
CID 103547954
(2-prop-2-enylphenyl) acetate;dihydrobromide
CID 70043796

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(2-prop-2-enylphenoxy)propanoic acid?
The IUPAC name of 2-acetamido-3-(2-prop-2-enylphenoxy)propanoic acid (CID 65442202) is 2-acetamido-3-(2-prop-2-enylphenoxy)propanoic acid.
What is the SMILES notation for 2-acetamido-3-(2-prop-2-enylphenoxy)propanoic acid?
The canonical SMILES for 2-acetamido-3-(2-prop-2-enylphenoxy)propanoic acid is C=CCc1ccccc1OCC(NC(C)=O)C(=O)O.
What is the InChIKey of 2-acetamido-3-(2-prop-2-enylphenoxy)propanoic acid?
The InChIKey is JYJTWVLIXADXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-3-6-11-7-4-5-8-13(11)19-9-12(14(17)18)15-10(2)16/h3-5,7-8,12H,1,6,9H2,2H3,(H,15,16)(H,17,18).
What are the key properties of 2-acetamido-3-(2-prop-2-enylphenoxy)propanoic acid?
2-acetamido-3-(2-prop-2-enylphenoxy)propanoic acid has a molecular weight of 263.29 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(2-prop-2-enylphenoxy)propanoic acid is sourced from PubChem (CID 65442202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).