4-[2-(hydroxyamino)-2-oxoethoxy]-2-(quinolin-8-ylcarbamoyl)pyrrolidine-1-carboxylic acid

C17H18N4O6 — CID 87787281

IUPAC4-[2-(hydroxyamino)-2-oxoethoxy]-2-(quinolin-8-ylcarbamoyl)pyrrolidine-1-carboxylic acid
SMILESO=C(COC1CC(C(=O)Nc2cccc3cccnc23)N(C(=O)O)C1)NO
InChIInChI=1S/C17H18N4O6/c22-14(20-26)9-27-11-7-13(21(8-11)17(24)25)16(23)19-12-5-1-3-10-4-2-6-18-15(10)12/h1-6,11,13,26H,7-9H2,(H,19,23)(H,20,22)(H,24,25)
InChIKeyZDWKAYSCEWMTAS-UHFFFAOYSA-N
MW374.35 g/mol
LogP0.82
Rot. Bonds5

About 4-[2-(hydroxyamino)-2-oxoethoxy]-2-(quinolin-8-ylcarbamoyl)pyrrolidine-1-carboxylic acid

4-[2-(hydroxyamino)-2-oxoethoxy]-2-(quinolin-8-ylcarbamoyl)pyrrolidine-1-carboxylic acid (PubChem CID 87787281) has the molecular formula C17H18N4O6 and a molecular weight of 374.35 g/mol. Its IUPAC name is 4-[2-(hydroxyamino)-2-oxoethoxy]-2-(quinolin-8-ylcarbamoyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(hydroxyamino)-2-oxoethoxy]-2-(quinolin-8-ylcarbamoyl)pyrrolidine-1-carboxylic acid
PubChem CID87787281
Molecular FormulaC17H18N4O6
Molecular Weight374.35 g/mol
Exact Mass374.12
IUPAC Name4-[2-(hydroxyamino)-2-oxoethoxy]-2-(quinolin-8-ylcarbamoyl)pyrrolidine-1-carboxylic acid
SMILESO=C(COC1CC(C(=O)Nc2cccc3cccnc23)N(C(=O)O)C1)NO
InChIInChI=1S/C17H18N4O6/c22-14(20-26)9-27-11-7-13(21(8-11)17(24)25)16(23)19-12-5-1-3-10-4-2-6-18-15(10)12/h1-6,11,13,26H,7-9H2,(H,19,23)(H,20,22)(H,24,25)
InChIKeyZDWKAYSCEWMTAS-UHFFFAOYSA-N
XLogP0.82
TPSA141.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.35
LogP ≤ 50.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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 4-[2-(hydroxyamino)-2-oxoethoxy]-2-(quinolin-8-ylcarbamoyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of 4-[2-(hydroxyamino)-2-oxoethoxy]-2-(quinolin-8-ylcarbamoyl)pyrrolidine-1-carboxylic acid (CID 87787281) is 4-[2-(hydroxyamino)-2-oxoethoxy]-2-(quinolin-8-ylcarbamoyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 4-[2-(hydroxyamino)-2-oxoethoxy]-2-(quinolin-8-ylcarbamoyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 4-[2-(hydroxyamino)-2-oxoethoxy]-2-(quinolin-8-ylcarbamoyl)pyrrolidine-1-carboxylic acid is O=C(COC1CC(C(=O)Nc2cccc3cccnc23)N(C(=O)O)C1)NO.
What is the InChIKey of 4-[2-(hydroxyamino)-2-oxoethoxy]-2-(quinolin-8-ylcarbamoyl)pyrrolidine-1-carboxylic acid?
The InChIKey is ZDWKAYSCEWMTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O6/c22-14(20-26)9-27-11-7-13(21(8-11)17(24)25)16(23)19-12-5-1-3-10-4-2-6-18-15(10)12/h1-6,11,13,26H,7-9H2,(H,19,23)(H,20,22)(H,24,25).
What are the key properties of 4-[2-(hydroxyamino)-2-oxoethoxy]-2-(quinolin-8-ylcarbamoyl)pyrrolidine-1-carboxylic acid?
4-[2-(hydroxyamino)-2-oxoethoxy]-2-(quinolin-8-ylcarbamoyl)pyrrolidine-1-carboxylic acid has a molecular weight of 374.35 g/mol, XLogP of 0.82, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(hydroxyamino)-2-oxoethoxy]-2-(quinolin-8-ylcarbamoyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 87787281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).