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

C17H18N2O4 — CID 118724714

IUPAC2-[[2-(hydroxyamino)-2-oxoethyl]-[(4-phenylphenyl)methyl]amino]acetic acid
SMILESO=C(O)CN(CC(=O)NO)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H18N2O4/c20-16(18-23)11-19(12-17(21)22)10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,23H,10-12H2,(H,18,20)(H,21,22)
InChIKeyGXVBYYAZHJTMFG-UHFFFAOYSA-N
MW314.34 g/mol
LogP1.75
Rot. Bonds7

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

2-[[2-(hydroxyamino)-2-oxoethyl]-[(4-phenylphenyl)methyl]amino]acetic acid (PubChem CID 118724714) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-[[2-(hydroxyamino)-2-oxoethyl]-[(4-phenylphenyl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(hydroxyamino)-2-oxoethyl]-[(4-phenylphenyl)methyl]amino]acetic acid
PubChem CID118724714
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name2-[[2-(hydroxyamino)-2-oxoethyl]-[(4-phenylphenyl)methyl]amino]acetic acid
SMILESO=C(O)CN(CC(=O)NO)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H18N2O4/c20-16(18-23)11-19(12-17(21)22)10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,23H,10-12H2,(H,18,20)(H,21,22)
InChIKeyGXVBYYAZHJTMFG-UHFFFAOYSA-N
XLogP1.75
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-phenylphenyl)methyl]amino]acetic acid?
The IUPAC name of 2-[[2-(hydroxyamino)-2-oxoethyl]-[(4-phenylphenyl)methyl]amino]acetic acid (CID 118724714) is 2-[[2-(hydroxyamino)-2-oxoethyl]-[(4-phenylphenyl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(hydroxyamino)-2-oxoethyl]-[(4-phenylphenyl)methyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(hydroxyamino)-2-oxoethyl]-[(4-phenylphenyl)methyl]amino]acetic acid is O=C(O)CN(CC(=O)NO)Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-[[2-(hydroxyamino)-2-oxoethyl]-[(4-phenylphenyl)methyl]amino]acetic acid?
The InChIKey is GXVBYYAZHJTMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c20-16(18-23)11-19(12-17(21)22)10-13-6-8-15(9-7-13)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-phenylphenyl)methyl]amino]acetic acid?
2-[[2-(hydroxyamino)-2-oxoethyl]-[(4-phenylphenyl)methyl]amino]acetic acid has a molecular weight of 314.34 g/mol, XLogP of 1.75, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(hydroxyamino)-2-oxoethyl]-[(4-phenylphenyl)methyl]amino]acetic acid is sourced from PubChem (CID 118724714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).