2-(N-(2-oxo-2-phenylmethoxyacetyl)anilino)acetic acid

C17H15NO5 — CID 68865167

IUPAC2-(N-(2-oxo-2-phenylmethoxyacetyl)anilino)acetic acid
SMILESO=C(O)CN(C(=O)C(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H15NO5/c19-15(20)11-18(14-9-5-2-6-10-14)16(21)17(22)23-12-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,19,20)
InChIKeyKDRVOYFVDLWLMJ-UHFFFAOYSA-N
MW313.31 g/mol
LogP1.85
Rot. Bonds5

About 2-(N-(2-oxo-2-phenylmethoxyacetyl)anilino)acetic acid

2-(N-(2-oxo-2-phenylmethoxyacetyl)anilino)acetic acid (PubChem CID 68865167) has the molecular formula C17H15NO5 and a molecular weight of 313.31 g/mol. Its IUPAC name is 2-(N-(2-oxo-2-phenylmethoxyacetyl)anilino)acetic acid.

Molecular Properties

Compound Name2-(N-(2-oxo-2-phenylmethoxyacetyl)anilino)acetic acid
PubChem CID68865167
Molecular FormulaC17H15NO5
Molecular Weight313.31 g/mol
Exact Mass313.10
IUPAC Name2-(N-(2-oxo-2-phenylmethoxyacetyl)anilino)acetic acid
SMILESO=C(O)CN(C(=O)C(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H15NO5/c19-15(20)11-18(14-9-5-2-6-10-14)16(21)17(22)23-12-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,19,20)
InChIKeyKDRVOYFVDLWLMJ-UHFFFAOYSA-N
XLogP1.85
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-N-phenylmethoxycarbonylanilino)acetic acid
CID 18919523
2-(4-chloro-N-phenylmethoxycarbonylanilino)acetic acid
CID 60825920
3-[methyl-(2-oxo-2-phenylmethoxyacetyl)amino]propanoic acid
CID 91242324
benzyl 2-[methyl(propan-2-yl)amino]-2-oxoacetate
CID 155220245
benzyl N-(N-phenylanilino)carbamate
CID 71360694
2-[carboxymethyl-[2-[carboxymethyl-(2-oxo-2-phenylmethoxyethyl)amino]ethyl]amino]acetic acid
CID 22072677
benzyl 2-chloro-2-oxoacetate
CID 11019858
2-oxo-2-phenylmethoxyethaneperoxoic acid
CID 88728266
benzyl N-amino-N-phenylcarbamate
CID 54267520
2-[furan-2-yl(phenylmethoxycarbonyl)amino]acetic acid
CID 54412250
2-[N-(diethylcarbamoyl)anilino]acetic acid
CID 61187149
1-O-benzyl 2-O-(2,2,2-trichloroethyl) oxalate
CID 68795649

Frequently Asked Questions

What is the IUPAC name of 2-(N-(2-oxo-2-phenylmethoxyacetyl)anilino)acetic acid?
The IUPAC name of 2-(N-(2-oxo-2-phenylmethoxyacetyl)anilino)acetic acid (CID 68865167) is 2-(N-(2-oxo-2-phenylmethoxyacetyl)anilino)acetic acid.
What is the SMILES notation for 2-(N-(2-oxo-2-phenylmethoxyacetyl)anilino)acetic acid?
The canonical SMILES for 2-(N-(2-oxo-2-phenylmethoxyacetyl)anilino)acetic acid is O=C(O)CN(C(=O)C(=O)OCc1ccccc1)c1ccccc1.
What is the InChIKey of 2-(N-(2-oxo-2-phenylmethoxyacetyl)anilino)acetic acid?
The InChIKey is KDRVOYFVDLWLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO5/c19-15(20)11-18(14-9-5-2-6-10-14)16(21)17(22)23-12-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,19,20).
What are the key properties of 2-(N-(2-oxo-2-phenylmethoxyacetyl)anilino)acetic acid?
2-(N-(2-oxo-2-phenylmethoxyacetyl)anilino)acetic acid has a molecular weight of 313.31 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(2-oxo-2-phenylmethoxyacetyl)anilino)acetic acid is sourced from PubChem (CID 68865167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).