(Z)-2-[(2-phenoxyacetyl)amino]but-2-enoic acid

C12H13NO4 — CID 24974135

IUPAC(Z)-2-[(2-phenoxyacetyl)amino]but-2-enoic acid
SMILESC/C=C(\NC(=O)COc1ccccc1)C(=O)O
InChIInChI=1S/C12H13NO4/c1-2-10(12(15)16)13-11(14)8-17-9-6-4-3-5-7-9/h2-7H,8H2,1H3,(H,13,14)(H,15,16)/b10-2-
InChIKeyAEXYUTFFRRYCCJ-SGAXSIHGSA-N
MW235.24 g/mol
LogP1.17
Rot. Bonds5

About (Z)-2-[(2-phenoxyacetyl)amino]but-2-enoic acid

(Z)-2-[(2-phenoxyacetyl)amino]but-2-enoic acid (PubChem CID 24974135) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is (Z)-2-[(2-phenoxyacetyl)amino]but-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-[(2-phenoxyacetyl)amino]but-2-enoic acid
PubChem CID24974135
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Name(Z)-2-[(2-phenoxyacetyl)amino]but-2-enoic acid
SMILESC/C=C(\NC(=O)COc1ccccc1)C(=O)O
InChIInChI=1S/C12H13NO4/c1-2-10(12(15)16)13-11(14)8-17-9-6-4-3-5-7-9/h2-7H,8H2,1H3,(H,13,14)(H,15,16)/b10-2-
InChIKeyAEXYUTFFRRYCCJ-SGAXSIHGSA-N
XLogP1.17
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-ethylideneamino]-2-phenoxyacetamide
CID 6533905
N-(hydroxymethyl)-2-phenoxyacetamide
CID 12769641
N'-chloro-2-phenoxyacetohydrazide
CID 174818653
N'-(2-phenoxyacetyl)propanehydrazide
CID 4508940
2-phenoxy-N-propan-2-ylacetamide
CID 3614481
chloromethane;2-phenoxyacetic acid
CID 157255542
N-(but-2-enylideneamino)-2-phenoxyacetamide
CID 4285683
2-oxo-3-phenoxypropanoic acid
CID 18994126
N-(4-acetamidophenyl)-2-phenoxyacetamide
CID 675023
2-phenoxy-N-[(Z)-propylideneamino]acetamide
CID 6119028
(E)-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-3-(2,6-dichlorophenyl)prop-2-enoic acid
CID 7139884
N-[(3,5-dichlorophenyl)carbamothioyl]-2-phenoxyacetamide
CID 1014402

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[(2-phenoxyacetyl)amino]but-2-enoic acid?
The IUPAC name of (Z)-2-[(2-phenoxyacetyl)amino]but-2-enoic acid (CID 24974135) is (Z)-2-[(2-phenoxyacetyl)amino]but-2-enoic acid.
What is the SMILES notation for (Z)-2-[(2-phenoxyacetyl)amino]but-2-enoic acid?
The canonical SMILES for (Z)-2-[(2-phenoxyacetyl)amino]but-2-enoic acid is C/C=C(\NC(=O)COc1ccccc1)C(=O)O.
What is the InChIKey of (Z)-2-[(2-phenoxyacetyl)amino]but-2-enoic acid?
The InChIKey is AEXYUTFFRRYCCJ-SGAXSIHGSA-N. The full InChI is InChI=1S/C12H13NO4/c1-2-10(12(15)16)13-11(14)8-17-9-6-4-3-5-7-9/h2-7H,8H2,1H3,(H,13,14)(H,15,16)/b10-2-.
What are the key properties of (Z)-2-[(2-phenoxyacetyl)amino]but-2-enoic acid?
(Z)-2-[(2-phenoxyacetyl)amino]but-2-enoic acid has a molecular weight of 235.24 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[(2-phenoxyacetyl)amino]but-2-enoic acid is sourced from PubChem (CID 24974135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).