4-(pyridine-4-carbonylamino)oxolane-3-carboxylic acid

C11H12N2O4 — CID 66222895

IUPAC4-(pyridine-4-carbonylamino)oxolane-3-carboxylic acid
SMILESO=C(NC1COCC1C(=O)O)c1ccncc1
InChIInChI=1S/C11H12N2O4/c14-10(7-1-3-12-4-2-7)13-9-6-17-5-8(9)11(15)16/h1-4,8-9H,5-6H2,(H,13,14)(H,15,16)
InChIKeyKWZKZKSEDBNSSI-UHFFFAOYSA-N
MW236.23 g/mol
LogP-0.09
Rot. Bonds3

About 4-(pyridine-4-carbonylamino)oxolane-3-carboxylic acid

4-(pyridine-4-carbonylamino)oxolane-3-carboxylic acid (PubChem CID 66222895) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 4-(pyridine-4-carbonylamino)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-(pyridine-4-carbonylamino)oxolane-3-carboxylic acid
PubChem CID66222895
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name4-(pyridine-4-carbonylamino)oxolane-3-carboxylic acid
SMILESO=C(NC1COCC1C(=O)O)c1ccncc1
InChIInChI=1S/C11H12N2O4/c14-10(7-1-3-12-4-2-7)13-9-6-17-5-8(9)11(15)16/h1-4,8-9H,5-6H2,(H,13,14)(H,15,16)
InChIKeyKWZKZKSEDBNSSI-UHFFFAOYSA-N
XLogP-0.09
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(aminomethyl)pyridine-4-carbonyl]amino]oxolane-3-carboxylic acid
CID 114326740
4-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66239350
4-[(2,6-dihydroxybenzoyl)amino]oxolane-3-carboxylic acid
CID 107688107
4-[(3-hydroxybenzoyl)amino]oxolane-3-carboxylic acid
CID 66223322
4-(naphthalene-2-carbonylamino)oxolane-3-carboxylic acid
CID 66223547
4-[(3-fluorobenzoyl)amino]oxolane-3-carboxylic acid
CID 66223767
4-[(3-bromobenzoyl)amino]oxolane-3-carboxylic acid
CID 66223965
4-[(4-amino-3,5-dichlorobenzoyl)amino]oxolane-3-carboxylic acid
CID 82833163
4-[(5-methylfuran-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 66223779
4-(quinoline-8-carbonylamino)oxolane-3-carboxylic acid
CID 66221838
4-[(3-amino-4-chlorobenzoyl)amino]oxolane-3-carboxylic acid
CID 66239735
4-[(5-bromopyridine-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 66221629

Frequently Asked Questions

What is the IUPAC name of 4-(pyridine-4-carbonylamino)oxolane-3-carboxylic acid?
The IUPAC name of 4-(pyridine-4-carbonylamino)oxolane-3-carboxylic acid (CID 66222895) is 4-(pyridine-4-carbonylamino)oxolane-3-carboxylic acid.
What is the SMILES notation for 4-(pyridine-4-carbonylamino)oxolane-3-carboxylic acid?
The canonical SMILES for 4-(pyridine-4-carbonylamino)oxolane-3-carboxylic acid is O=C(NC1COCC1C(=O)O)c1ccncc1.
What is the InChIKey of 4-(pyridine-4-carbonylamino)oxolane-3-carboxylic acid?
The InChIKey is KWZKZKSEDBNSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c14-10(7-1-3-12-4-2-7)13-9-6-17-5-8(9)11(15)16/h1-4,8-9H,5-6H2,(H,13,14)(H,15,16).
What are the key properties of 4-(pyridine-4-carbonylamino)oxolane-3-carboxylic acid?
4-(pyridine-4-carbonylamino)oxolane-3-carboxylic acid has a molecular weight of 236.23 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridine-4-carbonylamino)oxolane-3-carboxylic acid is sourced from PubChem (CID 66222895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).