2-[(4-aminooxy-2-oxo-1-phenylmethoxyquinoline-3-carbonyl)amino]acetic acid

C19H17N3O6 — CID 90269450

IUPAC2-[(4-aminooxy-2-oxo-1-phenylmethoxyquinoline-3-carbonyl)amino]acetic acid
SMILESNOc1c(C(=O)NCC(=O)O)c(=O)n(OCc2ccccc2)c2ccccc12
InChIInChI=1S/C19H17N3O6/c20-28-17-13-8-4-5-9-14(13)22(27-11-12-6-2-1-3-7-12)19(26)16(17)18(25)21-10-15(23)24/h1-9H,10-11,20H2,(H,21,25)(H,23,24)
InChIKeyQOXXCRGHVRAODU-UHFFFAOYSA-N
MW383.36 g/mol
LogP0.70
Rot. Bonds7

About 2-[(4-aminooxy-2-oxo-1-phenylmethoxyquinoline-3-carbonyl)amino]acetic acid

2-[(4-aminooxy-2-oxo-1-phenylmethoxyquinoline-3-carbonyl)amino]acetic acid (PubChem CID 90269450) has the molecular formula C19H17N3O6 and a molecular weight of 383.36 g/mol. Its IUPAC name is 2-[(4-aminooxy-2-oxo-1-phenylmethoxyquinoline-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-aminooxy-2-oxo-1-phenylmethoxyquinoline-3-carbonyl)amino]acetic acid
PubChem CID90269450
Molecular FormulaC19H17N3O6
Molecular Weight383.36 g/mol
Exact Mass383.11
IUPAC Name2-[(4-aminooxy-2-oxo-1-phenylmethoxyquinoline-3-carbonyl)amino]acetic acid
SMILESNOc1c(C(=O)NCC(=O)O)c(=O)n(OCc2ccccc2)c2ccccc12
InChIInChI=1S/C19H17N3O6/c20-28-17-13-8-4-5-9-14(13)22(27-11-12-6-2-1-3-7-12)19(26)16(17)18(25)21-10-15(23)24/h1-9H,10-11,20H2,(H,21,25)(H,23,24)
InChIKeyQOXXCRGHVRAODU-UHFFFAOYSA-N
XLogP0.70
TPSA132.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[(4-aminooxy-2-oxo-1-phenylmethoxyquinoline-3-carbonyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminooxy-2-oxo-1-phenylmethoxyquinoline-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(4-aminooxy-2-oxo-1-phenylmethoxyquinoline-3-carbonyl)amino]acetic acid (CID 90269450) is 2-[(4-aminooxy-2-oxo-1-phenylmethoxyquinoline-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-aminooxy-2-oxo-1-phenylmethoxyquinoline-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(4-aminooxy-2-oxo-1-phenylmethoxyquinoline-3-carbonyl)amino]acetic acid is NOc1c(C(=O)NCC(=O)O)c(=O)n(OCc2ccccc2)c2ccccc12.
What is the InChIKey of 2-[(4-aminooxy-2-oxo-1-phenylmethoxyquinoline-3-carbonyl)amino]acetic acid?
The InChIKey is QOXXCRGHVRAODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O6/c20-28-17-13-8-4-5-9-14(13)22(27-11-12-6-2-1-3-7-12)19(26)16(17)18(25)21-10-15(23)24/h1-9H,10-11,20H2,(H,21,25)(H,23,24).
What are the key properties of 2-[(4-aminooxy-2-oxo-1-phenylmethoxyquinoline-3-carbonyl)amino]acetic acid?
2-[(4-aminooxy-2-oxo-1-phenylmethoxyquinoline-3-carbonyl)amino]acetic acid has a molecular weight of 383.36 g/mol, XLogP of 0.70, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminooxy-2-oxo-1-phenylmethoxyquinoline-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 90269450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).