2-[2-[(3-oxo-3-phenylpropanoyl)amino]phenoxy]acetic acid

C17H15NO5 — CID 35261813

IUPAC2-[2-[(3-oxo-3-phenylpropanoyl)amino]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1NC(=O)CC(=O)c1ccccc1
InChIInChI=1S/C17H15NO5/c19-14(12-6-2-1-3-7-12)10-16(20)18-13-8-4-5-9-15(13)23-11-17(21)22/h1-9H,10-11H2,(H,18,20)(H,21,22)
InChIKeyUOVPUOLKOGLKSG-UHFFFAOYSA-N
MW313.31 g/mol
LogP2.36
Rot. Bonds7

About 2-[2-[(3-oxo-3-phenylpropanoyl)amino]phenoxy]acetic acid

2-[2-[(3-oxo-3-phenylpropanoyl)amino]phenoxy]acetic acid (PubChem CID 35261813) has the molecular formula C17H15NO5 and a molecular weight of 313.31 g/mol. Its IUPAC name is 2-[2-[(3-oxo-3-phenylpropanoyl)amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(3-oxo-3-phenylpropanoyl)amino]phenoxy]acetic acid
PubChem CID35261813
Molecular FormulaC17H15NO5
Molecular Weight313.31 g/mol
Exact Mass313.10
IUPAC Name2-[2-[(3-oxo-3-phenylpropanoyl)amino]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1NC(=O)CC(=O)c1ccccc1
InChIInChI=1S/C17H15NO5/c19-14(12-6-2-1-3-7-12)10-16(20)18-13-8-4-5-9-15(13)23-11-17(21)22/h1-9H,10-11H2,(H,18,20)(H,21,22)
InChIKeyUOVPUOLKOGLKSG-UHFFFAOYSA-N
XLogP2.36
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyphenyl)-3-oxo-3-phenylpropanamide
CID 7079
11-[2-(carboxymethoxy)anilino]-11-oxoundecanoic acid
CID 18795886
2-[2-(pent-4-enoylamino)phenoxy]acetic acid
CID 55242650
2-[2-(but-2-ynoylamino)phenoxy]acetic acid
CID 107986692
2-[2-[(3-methoxy-3-methylbutanoyl)amino]phenoxy]acetic acid
CID 103018697
2-[2-[(3-aminobenzoyl)amino]phenoxy]acetic acid
CID 63746700
2-[2-(2-methylprop-2-enoylamino)phenoxy]acetic acid
CID 13070434
2-[2-(3-methylbut-2-enoylamino)phenoxy]acetic acid
CID 55241875
2-[2-[[3-(methylamino)-3-oxopropyl]carbamoylamino]phenoxy]acetic acid
CID 63747077
2-[2-[(3,4-dichlorobenzoyl)amino]phenoxy]acetic acid
CID 22554
2-[2-(carboxymethoxy)phenoxy]acetic acid;hydrate
CID 121199307
2-[2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]phenoxy]acetic acid
CID 63745847

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-oxo-3-phenylpropanoyl)amino]phenoxy]acetic acid?
The IUPAC name of 2-[2-[(3-oxo-3-phenylpropanoyl)amino]phenoxy]acetic acid (CID 35261813) is 2-[2-[(3-oxo-3-phenylpropanoyl)amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[(3-oxo-3-phenylpropanoyl)amino]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[(3-oxo-3-phenylpropanoyl)amino]phenoxy]acetic acid is O=C(O)COc1ccccc1NC(=O)CC(=O)c1ccccc1.
What is the InChIKey of 2-[2-[(3-oxo-3-phenylpropanoyl)amino]phenoxy]acetic acid?
The InChIKey is UOVPUOLKOGLKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO5/c19-14(12-6-2-1-3-7-12)10-16(20)18-13-8-4-5-9-15(13)23-11-17(21)22/h1-9H,10-11H2,(H,18,20)(H,21,22).
What are the key properties of 2-[2-[(3-oxo-3-phenylpropanoyl)amino]phenoxy]acetic acid?
2-[2-[(3-oxo-3-phenylpropanoyl)amino]phenoxy]acetic acid has a molecular weight of 313.31 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-oxo-3-phenylpropanoyl)amino]phenoxy]acetic acid is sourced from PubChem (CID 35261813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).