2-[[2-(hydroxyamino)-2-oxoethyl]-[(4-phenoxyphenyl)methyl]amino]acetic acid

C17H18N2O5 — CID 118724715

IUPAC2-[[2-(hydroxyamino)-2-oxoethyl]-[(4-phenoxyphenyl)methyl]amino]acetic acid
SMILESO=C(O)CN(CC(=O)NO)Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H18N2O5/c20-16(18-23)11-19(12-17(21)22)10-13-6-8-15(9-7-13)24-14-4-2-1-3-5-14/h1-9,23H,10-12H2,(H,18,20)(H,21,22)
InChIKeyVXBIQAHHAHQJQC-UHFFFAOYSA-N
MW330.34 g/mol
LogP1.87
Rot. Bonds8

About 2-[[2-(hydroxyamino)-2-oxoethyl]-[(4-phenoxyphenyl)methyl]amino]acetic acid

2-[[2-(hydroxyamino)-2-oxoethyl]-[(4-phenoxyphenyl)methyl]amino]acetic acid (PubChem CID 118724715) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is 2-[[2-(hydroxyamino)-2-oxoethyl]-[(4-phenoxyphenyl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(hydroxyamino)-2-oxoethyl]-[(4-phenoxyphenyl)methyl]amino]acetic acid
PubChem CID118724715
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC Name2-[[2-(hydroxyamino)-2-oxoethyl]-[(4-phenoxyphenyl)methyl]amino]acetic acid
SMILESO=C(O)CN(CC(=O)NO)Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H18N2O5/c20-16(18-23)11-19(12-17(21)22)10-13-6-8-15(9-7-13)24-14-4-2-1-3-5-14/h1-9,23H,10-12H2,(H,18,20)(H,21,22)
InChIKeyVXBIQAHHAHQJQC-UHFFFAOYSA-N
XLogP1.87
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(hydroxyamino)-2-oxoethyl]-[(4-phenoxyphenyl)methyl]amino]acetic acid?
The IUPAC name of 2-[[2-(hydroxyamino)-2-oxoethyl]-[(4-phenoxyphenyl)methyl]amino]acetic acid (CID 118724715) is 2-[[2-(hydroxyamino)-2-oxoethyl]-[(4-phenoxyphenyl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(hydroxyamino)-2-oxoethyl]-[(4-phenoxyphenyl)methyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(hydroxyamino)-2-oxoethyl]-[(4-phenoxyphenyl)methyl]amino]acetic acid is O=C(O)CN(CC(=O)NO)Cc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-[[2-(hydroxyamino)-2-oxoethyl]-[(4-phenoxyphenyl)methyl]amino]acetic acid?
The InChIKey is VXBIQAHHAHQJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c20-16(18-23)11-19(12-17(21)22)10-13-6-8-15(9-7-13)24-14-4-2-1-3-5-14/h1-9,23H,10-12H2,(H,18,20)(H,21,22).
What are the key properties of 2-[[2-(hydroxyamino)-2-oxoethyl]-[(4-phenoxyphenyl)methyl]amino]acetic acid?
2-[[2-(hydroxyamino)-2-oxoethyl]-[(4-phenoxyphenyl)methyl]amino]acetic acid has a molecular weight of 330.34 g/mol, XLogP of 1.87, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(hydroxyamino)-2-oxoethyl]-[(4-phenoxyphenyl)methyl]amino]acetic acid is sourced from PubChem (CID 118724715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).