2-[[2-(2-prop-2-enoxyphenoxy)acetyl]amino]propanoic acid

C14H17NO5 — CID 82043574

IUPAC2-[[2-(2-prop-2-enoxyphenoxy)acetyl]amino]propanoic acid
SMILESC=CCOc1ccccc1OCC(=O)NC(C)C(=O)O
InChIInChI=1S/C14H17NO5/c1-3-8-19-11-6-4-5-7-12(11)20-9-13(16)15-10(2)14(17)18/h3-7,10H,1,8-9H2,2H3,(H,15,16)(H,17,18)
InChIKeyVLSDVHFXOUQTQD-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.22
Rot. Bonds8

About 2-[[2-(2-prop-2-enoxyphenoxy)acetyl]amino]propanoic acid

2-[[2-(2-prop-2-enoxyphenoxy)acetyl]amino]propanoic acid (PubChem CID 82043574) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 2-[[2-(2-prop-2-enoxyphenoxy)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(2-prop-2-enoxyphenoxy)acetyl]amino]propanoic acid
PubChem CID82043574
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name2-[[2-(2-prop-2-enoxyphenoxy)acetyl]amino]propanoic acid
SMILESC=CCOc1ccccc1OCC(=O)NC(C)C(=O)O
InChIInChI=1S/C14H17NO5/c1-3-8-19-11-6-4-5-7-12(11)20-9-13(16)15-10(2)14(17)18/h3-7,10H,1,8-9H2,2H3,(H,15,16)(H,17,18)
InChIKeyVLSDVHFXOUQTQD-UHFFFAOYSA-N
XLogP1.22
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
CID 746811
(2R)-2-[[2-(2-carbamoylphenoxy)acetyl]amino]propanoic acid
CID 54991568
(2S)-2-[[2-(2,3-dimethylphenoxy)acetyl]amino]propanoic acid
CID 9156872
methyl (2R)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate
CID 113257879
(2S)-2-[[2-(4-fluorophenoxy)acetyl]amino]propanoic acid
CID 92918438
N-[(2R)-1-hydroxypropan-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 39086763
(2R)-2-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]propanoic acid
CID 54991090
(2R)-2-[[2-(2,4-dibromophenoxy)acetyl]amino]propanoic acid
CID 54991092
3-hydroxy-2-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid
CID 43238739
(2R)-2-[[2-(2-methylphenoxy)acetyl]amino]propanoate
CID 9157049
2-(2-ethoxyphenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 731794
(2S)-2-[[2-(2-methylphenoxy)acetyl]amino]propanoate
CID 9157045

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-prop-2-enoxyphenoxy)acetyl]amino]propanoic acid?
The IUPAC name of 2-[[2-(2-prop-2-enoxyphenoxy)acetyl]amino]propanoic acid (CID 82043574) is 2-[[2-(2-prop-2-enoxyphenoxy)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-(2-prop-2-enoxyphenoxy)acetyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-(2-prop-2-enoxyphenoxy)acetyl]amino]propanoic acid is C=CCOc1ccccc1OCC(=O)NC(C)C(=O)O.
What is the InChIKey of 2-[[2-(2-prop-2-enoxyphenoxy)acetyl]amino]propanoic acid?
The InChIKey is VLSDVHFXOUQTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-3-8-19-11-6-4-5-7-12(11)20-9-13(16)15-10(2)14(17)18/h3-7,10H,1,8-9H2,2H3,(H,15,16)(H,17,18).
What are the key properties of 2-[[2-(2-prop-2-enoxyphenoxy)acetyl]amino]propanoic acid?
2-[[2-(2-prop-2-enoxyphenoxy)acetyl]amino]propanoic acid has a molecular weight of 279.29 g/mol, XLogP of 1.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-prop-2-enoxyphenoxy)acetyl]amino]propanoic acid is sourced from PubChem (CID 82043574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).