2-[N-(carboxymethyl)-3-phenoxyanilino]acetic acid

C16H15NO5 — CID 59212023

IUPAC2-[N-(carboxymethyl)-3-phenoxyanilino]acetic acid
SMILESO=C(O)CN(CC(=O)O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C16H15NO5/c18-15(19)10-17(11-16(20)21)12-5-4-8-14(9-12)22-13-6-2-1-3-7-13/h1-9H,10-11H2,(H,18,19)(H,20,21)
InChIKeyOZNHDJZDZVJZJA-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.45
Rot. Bonds7

About 2-[N-(carboxymethyl)-3-phenoxyanilino]acetic acid

2-[N-(carboxymethyl)-3-phenoxyanilino]acetic acid (PubChem CID 59212023) has the molecular formula C16H15NO5 and a molecular weight of 301.30 g/mol. Its IUPAC name is 2-[N-(carboxymethyl)-3-phenoxyanilino]acetic acid.

Molecular Properties

Compound Name2-[N-(carboxymethyl)-3-phenoxyanilino]acetic acid
PubChem CID59212023
Molecular FormulaC16H15NO5
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Name2-[N-(carboxymethyl)-3-phenoxyanilino]acetic acid
SMILESO=C(O)CN(CC(=O)O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C16H15NO5/c18-15(19)10-17(11-16(20)21)12-5-4-8-14(9-12)22-13-6-2-1-3-7-13/h1-9H,10-11H2,(H,18,19)(H,20,21)
InChIKeyOZNHDJZDZVJZJA-UHFFFAOYSA-N
XLogP2.45
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(carboxymethyl)-3-methoxyanilino]acetic acid;2-[N-(carboxymethyl)-4-methoxyanilino]acetic acid
CID 122452807
2-[3-tert-butyl-N-(carboxymethyl)anilino]acetic acid
CID 21131513
N-(3-phenoxyphenyl)-N-propan-2-ylcarbamoyl chloride
CID 18548239
2-[N-[(3-ethoxyphenyl)methyl]anilino]acetic acid
CID 39385265
2-[N-(carboxymethyl)-3-octadeca-9,12-dienoxyanilino]acetic acid
CID 67847893
2-[N-(2-fluoroethyl)anilino]acetic acid
CID 80695763
2-[N-(carboxymethyl)-3-chloroanilino]acetate
CID 58908246
2-(N-sulfanylanilino)acetic acid
CID 87905389
2-(N-prop-2-ynylanilino)acetic acid
CID 60839094
2-(N-ethyl-2-phenoxyanilino)acetic acid
CID 100522605
2-(1,3-dioxo-5-phenoxyisoindol-2-yl)acetic acid
CID 66713203
[(2R)-1-amino-3-carboxypropan-2-yl]-dimethyl-[methyl-(3-phenoxyphenyl)sulfamoyl]azanium;2,2,2-trifluoroacetate
CID 173145108

Frequently Asked Questions

What is the IUPAC name of 2-[N-(carboxymethyl)-3-phenoxyanilino]acetic acid?
The IUPAC name of 2-[N-(carboxymethyl)-3-phenoxyanilino]acetic acid (CID 59212023) is 2-[N-(carboxymethyl)-3-phenoxyanilino]acetic acid.
What is the SMILES notation for 2-[N-(carboxymethyl)-3-phenoxyanilino]acetic acid?
The canonical SMILES for 2-[N-(carboxymethyl)-3-phenoxyanilino]acetic acid is O=C(O)CN(CC(=O)O)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 2-[N-(carboxymethyl)-3-phenoxyanilino]acetic acid?
The InChIKey is OZNHDJZDZVJZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO5/c18-15(19)10-17(11-16(20)21)12-5-4-8-14(9-12)22-13-6-2-1-3-7-13/h1-9H,10-11H2,(H,18,19)(H,20,21).
What are the key properties of 2-[N-(carboxymethyl)-3-phenoxyanilino]acetic acid?
2-[N-(carboxymethyl)-3-phenoxyanilino]acetic acid has a molecular weight of 301.30 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(carboxymethyl)-3-phenoxyanilino]acetic acid is sourced from PubChem (CID 59212023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).