[3-[(2-pyridin-2-ylacetyl)amino]oxolan-3-yl] hydrogen carbonate

C12H14N2O5 — CID 90794902

IUPAC[3-[(2-pyridin-2-ylacetyl)amino]oxolan-3-yl] hydrogen carbonate
SMILESO=C(Cc1ccccn1)NC1(OC(=O)O)CCOC1
InChIInChI=1S/C12H14N2O5/c15-10(7-9-3-1-2-5-13-9)14-12(19-11(16)17)4-6-18-8-12/h1-3,5H,4,6-8H2,(H,14,15)(H,16,17)
InChIKeyGNDASCZVHMWKPG-UHFFFAOYSA-N
MW266.25 g/mol
LogP0.55
Rot. Bonds4

About [3-[(2-pyridin-2-ylacetyl)amino]oxolan-3-yl] hydrogen carbonate

[3-[(2-pyridin-2-ylacetyl)amino]oxolan-3-yl] hydrogen carbonate (PubChem CID 90794902) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is [3-[(2-pyridin-2-ylacetyl)amino]oxolan-3-yl] hydrogen carbonate.

Molecular Properties

Compound Name[3-[(2-pyridin-2-ylacetyl)amino]oxolan-3-yl] hydrogen carbonate
PubChem CID90794902
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name[3-[(2-pyridin-2-ylacetyl)amino]oxolan-3-yl] hydrogen carbonate
SMILESO=C(Cc1ccccn1)NC1(OC(=O)O)CCOC1
InChIInChI=1S/C12H14N2O5/c15-10(7-9-3-1-2-5-13-9)14-12(19-11(16)17)4-6-18-8-12/h1-3,5H,4,6-8H2,(H,14,15)(H,16,17)
InChIKeyGNDASCZVHMWKPG-UHFFFAOYSA-N
XLogP0.55
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-[(2-pyridin-2-ylacetyl)amino]oxolan-3-yl] hydrogen carbonate?
The IUPAC name of [3-[(2-pyridin-2-ylacetyl)amino]oxolan-3-yl] hydrogen carbonate (CID 90794902) is [3-[(2-pyridin-2-ylacetyl)amino]oxolan-3-yl] hydrogen carbonate.
What is the SMILES notation for [3-[(2-pyridin-2-ylacetyl)amino]oxolan-3-yl] hydrogen carbonate?
The canonical SMILES for [3-[(2-pyridin-2-ylacetyl)amino]oxolan-3-yl] hydrogen carbonate is O=C(Cc1ccccn1)NC1(OC(=O)O)CCOC1.
What is the InChIKey of [3-[(2-pyridin-2-ylacetyl)amino]oxolan-3-yl] hydrogen carbonate?
The InChIKey is GNDASCZVHMWKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5/c15-10(7-9-3-1-2-5-13-9)14-12(19-11(16)17)4-6-18-8-12/h1-3,5H,4,6-8H2,(H,14,15)(H,16,17).
What are the key properties of [3-[(2-pyridin-2-ylacetyl)amino]oxolan-3-yl] hydrogen carbonate?
[3-[(2-pyridin-2-ylacetyl)amino]oxolan-3-yl] hydrogen carbonate has a molecular weight of 266.25 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-pyridin-2-ylacetyl)amino]oxolan-3-yl] hydrogen carbonate is sourced from PubChem (CID 90794902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).