sodium 2-(pyridine-3-carbonylamino)propanoate

C9H9N2NaO3 — CID 23690383

IUPACsodium 2-(pyridine-3-carbonylamino)propanoate
SMILESCC(NC(=O)c1cccnc1)C(=O)[O-].[Na+]
InChIInChI=1S/C9H10N2O3.Na/c1-6(9(13)14)11-8(12)7-3-2-4-10-5-7;/h2-6H,1H3,(H,11,12)(H,13,14);/q;+1/p-1
InChIKeyWRFVHDOTHPREMA-UHFFFAOYSA-M
MW216.17 g/mol
LogP-4.05
Rot. Bonds3

About sodium 2-(pyridine-3-carbonylamino)propanoate

sodium 2-(pyridine-3-carbonylamino)propanoate (PubChem CID 23690383) has the molecular formula C9H9N2NaO3 and a molecular weight of 216.17 g/mol. Its IUPAC name is sodium 2-(pyridine-3-carbonylamino)propanoate.

Molecular Properties

Compound Namesodium 2-(pyridine-3-carbonylamino)propanoate
PubChem CID23690383
Molecular FormulaC9H9N2NaO3
Molecular Weight216.17 g/mol
Exact Mass216.05
IUPAC Namesodium 2-(pyridine-3-carbonylamino)propanoate
SMILESCC(NC(=O)c1cccnc1)C(=O)[O-].[Na+]
InChIInChI=1S/C9H10N2O3.Na/c1-6(9(13)14)11-8(12)7-3-2-4-10-5-7;/h2-6H,1H3,(H,11,12)(H,13,14);/q;+1/p-1
InChIKeyWRFVHDOTHPREMA-UHFFFAOYSA-M
XLogP-4.05
TPSA82.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.17
LogP ≤ 5-4.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of sodium 2-(pyridine-3-carbonylamino)propanoate?
The IUPAC name of sodium 2-(pyridine-3-carbonylamino)propanoate (CID 23690383) is sodium 2-(pyridine-3-carbonylamino)propanoate.
What is the SMILES notation for sodium 2-(pyridine-3-carbonylamino)propanoate?
The canonical SMILES for sodium 2-(pyridine-3-carbonylamino)propanoate is CC(NC(=O)c1cccnc1)C(=O)[O-].[Na+].
What is the InChIKey of sodium 2-(pyridine-3-carbonylamino)propanoate?
The InChIKey is WRFVHDOTHPREMA-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H10N2O3.Na/c1-6(9(13)14)11-8(12)7-3-2-4-10-5-7;/h2-6H,1H3,(H,11,12)(H,13,14);/q;+1/p-1.
What are the key properties of sodium 2-(pyridine-3-carbonylamino)propanoate?
sodium 2-(pyridine-3-carbonylamino)propanoate has a molecular weight of 216.17 g/mol, XLogP of -4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(pyridine-3-carbonylamino)propanoate is sourced from PubChem (CID 23690383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).