2-[4-hydroxy-3-[(2-phenoxyacetyl)amino]phenyl]acetic acid

C16H15NO5 — CID 108741660

IUPAC2-[4-hydroxy-3-[(2-phenoxyacetyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(O)c(NC(=O)COc2ccccc2)c1
InChIInChI=1S/C16H15NO5/c18-14-7-6-11(9-16(20)21)8-13(14)17-15(19)10-22-12-4-2-1-3-5-12/h1-8,18H,9-10H2,(H,17,19)(H,20,21)
InChIKeyFSKPKWIHNNMAQE-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.04
Rot. Bonds6

About 2-[4-hydroxy-3-[(2-phenoxyacetyl)amino]phenyl]acetic acid

2-[4-hydroxy-3-[(2-phenoxyacetyl)amino]phenyl]acetic acid (PubChem CID 108741660) has the molecular formula C16H15NO5 and a molecular weight of 301.30 g/mol. Its IUPAC name is 2-[4-hydroxy-3-[(2-phenoxyacetyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-hydroxy-3-[(2-phenoxyacetyl)amino]phenyl]acetic acid
PubChem CID108741660
Molecular FormulaC16H15NO5
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Name2-[4-hydroxy-3-[(2-phenoxyacetyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(O)c(NC(=O)COc2ccccc2)c1
InChIInChI=1S/C16H15NO5/c18-14-7-6-11(9-16(20)21)8-13(14)17-15(19)10-22-12-4-2-1-3-5-12/h1-8,18H,9-10H2,(H,17,19)(H,20,21)
InChIKeyFSKPKWIHNNMAQE-UHFFFAOYSA-N
XLogP2.04
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(3-chloropropanoylamino)-4-hydroxyphenyl]acetic acid
CID 108764335
2-[(2-phenoxyacetyl)amino]-4-(2-phenylethyl)benzoic acid
CID 67342372
N-(2-hydroxyphenyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 46665237
2-[3-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-hydroxyphenyl]acetic acid
CID 108764244
N-(5-tert-butyl-2-hydroxyphenyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 27673110
2-[3-[(3-ethoxybenzoyl)amino]-4-hydroxyphenyl]acetic acid
CID 108741732
N-(3-fluoro-4-hydroxyphenyl)-2-phenoxyacetamide
CID 64780486
2-[4-[(2-phenoxyacetyl)carbamothioylamino]phenyl]acetic acid
CID 28688595
N-[4-chloro-2-[(2-phenoxyacetyl)amino]phenyl]-2-phenoxyacetamide
CID 1247989
N-(2-hydroxy-5-methylphenyl)-2-(4-methoxyphenoxy)acetamide
CID 883490
2-(3,4-dihydroxyphenyl)-N-(2-phenoxyphenyl)acetamide
CID 113199162
2-[4-hydroxy-3-[[4-(2-methylpropoxy)benzoyl]amino]phenyl]acetic acid
CID 108741644

Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-3-[(2-phenoxyacetyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[4-hydroxy-3-[(2-phenoxyacetyl)amino]phenyl]acetic acid (CID 108741660) is 2-[4-hydroxy-3-[(2-phenoxyacetyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-hydroxy-3-[(2-phenoxyacetyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[4-hydroxy-3-[(2-phenoxyacetyl)amino]phenyl]acetic acid is O=C(O)Cc1ccc(O)c(NC(=O)COc2ccccc2)c1.
What is the InChIKey of 2-[4-hydroxy-3-[(2-phenoxyacetyl)amino]phenyl]acetic acid?
The InChIKey is FSKPKWIHNNMAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO5/c18-14-7-6-11(9-16(20)21)8-13(14)17-15(19)10-22-12-4-2-1-3-5-12/h1-8,18H,9-10H2,(H,17,19)(H,20,21).
What are the key properties of 2-[4-hydroxy-3-[(2-phenoxyacetyl)amino]phenyl]acetic acid?
2-[4-hydroxy-3-[(2-phenoxyacetyl)amino]phenyl]acetic acid has a molecular weight of 301.30 g/mol, XLogP of 2.04, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-3-[(2-phenoxyacetyl)amino]phenyl]acetic acid is sourced from PubChem (CID 108741660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).