4-oxo-4-(pyridin-3-ylamino)butanoic acid

C9H10N2O3 — CID 697037

IUPAC4-oxo-4-(pyridin-3-ylamino)butanoic acid
SMILESO=C(O)CCC(=O)Nc1cccnc1
InChIInChI=1S/C9H10N2O3/c12-8(3-4-9(13)14)11-7-2-1-5-10-6-7/h1-2,5-6H,3-4H2,(H,11,12)(H,13,14)
InChIKeyCRCDHMGBWOILNF-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.88
Rot. Bonds4

About 4-oxo-4-(pyridin-3-ylamino)butanoic acid

4-oxo-4-(pyridin-3-ylamino)butanoic acid (PubChem CID 697037) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 4-oxo-4-(pyridin-3-ylamino)butanoic acid.

Molecular Properties

Compound Name4-oxo-4-(pyridin-3-ylamino)butanoic acid
PubChem CID697037
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name4-oxo-4-(pyridin-3-ylamino)butanoic acid
SMILESO=C(O)CCC(=O)Nc1cccnc1
InChIInChI=1S/C9H10N2O3/c12-8(3-4-9(13)14)11-7-2-1-5-10-6-7/h1-2,5-6H,3-4H2,(H,11,12)(H,13,14)
InChIKeyCRCDHMGBWOILNF-UHFFFAOYSA-N
XLogP0.88
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-(pyridin-3-ylamino)butanoic acid?
The IUPAC name of 4-oxo-4-(pyridin-3-ylamino)butanoic acid (CID 697037) is 4-oxo-4-(pyridin-3-ylamino)butanoic acid.
What is the SMILES notation for 4-oxo-4-(pyridin-3-ylamino)butanoic acid?
The canonical SMILES for 4-oxo-4-(pyridin-3-ylamino)butanoic acid is O=C(O)CCC(=O)Nc1cccnc1.
What is the InChIKey of 4-oxo-4-(pyridin-3-ylamino)butanoic acid?
The InChIKey is CRCDHMGBWOILNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c12-8(3-4-9(13)14)11-7-2-1-5-10-6-7/h1-2,5-6H,3-4H2,(H,11,12)(H,13,14).
What are the key properties of 4-oxo-4-(pyridin-3-ylamino)butanoic acid?
4-oxo-4-(pyridin-3-ylamino)butanoic acid has a molecular weight of 194.19 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-(pyridin-3-ylamino)butanoic acid is sourced from PubChem (CID 697037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).