3-(2-hydroxy-5-oxo-4-pyridin-3-ylimidazolidin-4-yl)propanoic acid

C11H13N3O4 — CID 154981324

IUPAC3-(2-hydroxy-5-oxo-4-pyridin-3-ylimidazolidin-4-yl)propanoic acid
SMILESO=C(O)CCC1(c2cccnc2)NC(O)NC1=O
InChIInChI=1S/C11H13N3O4/c15-8(16)3-4-11(7-2-1-5-12-6-7)9(17)13-10(18)14-11/h1-2,5-6,10,14,18H,3-4H2,(H,13,17)(H,15,16)
InChIKeyOECGCMJOUZKTJK-UHFFFAOYSA-N
MW251.24 g/mol
LogP-0.86
Rot. Bonds4

About 3-(2-hydroxy-5-oxo-4-pyridin-3-ylimidazolidin-4-yl)propanoic acid

3-(2-hydroxy-5-oxo-4-pyridin-3-ylimidazolidin-4-yl)propanoic acid (PubChem CID 154981324) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is 3-(2-hydroxy-5-oxo-4-pyridin-3-ylimidazolidin-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-hydroxy-5-oxo-4-pyridin-3-ylimidazolidin-4-yl)propanoic acid
PubChem CID154981324
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name3-(2-hydroxy-5-oxo-4-pyridin-3-ylimidazolidin-4-yl)propanoic acid
SMILESO=C(O)CCC1(c2cccnc2)NC(O)NC1=O
InChIInChI=1S/C11H13N3O4/c15-8(16)3-4-11(7-2-1-5-12-6-7)9(17)13-10(18)14-11/h1-2,5-6,10,14,18H,3-4H2,(H,13,17)(H,15,16)
InChIKeyOECGCMJOUZKTJK-UHFFFAOYSA-N
XLogP-0.86
TPSA111.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 5-0.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-5-oxo-4-pyridin-3-ylimidazolidin-4-yl)propanoic acid?
The IUPAC name of 3-(2-hydroxy-5-oxo-4-pyridin-3-ylimidazolidin-4-yl)propanoic acid (CID 154981324) is 3-(2-hydroxy-5-oxo-4-pyridin-3-ylimidazolidin-4-yl)propanoic acid.
What is the SMILES notation for 3-(2-hydroxy-5-oxo-4-pyridin-3-ylimidazolidin-4-yl)propanoic acid?
The canonical SMILES for 3-(2-hydroxy-5-oxo-4-pyridin-3-ylimidazolidin-4-yl)propanoic acid is O=C(O)CCC1(c2cccnc2)NC(O)NC1=O.
What is the InChIKey of 3-(2-hydroxy-5-oxo-4-pyridin-3-ylimidazolidin-4-yl)propanoic acid?
The InChIKey is OECGCMJOUZKTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4/c15-8(16)3-4-11(7-2-1-5-12-6-7)9(17)13-10(18)14-11/h1-2,5-6,10,14,18H,3-4H2,(H,13,17)(H,15,16).
What are the key properties of 3-(2-hydroxy-5-oxo-4-pyridin-3-ylimidazolidin-4-yl)propanoic acid?
3-(2-hydroxy-5-oxo-4-pyridin-3-ylimidazolidin-4-yl)propanoic acid has a molecular weight of 251.24 g/mol, XLogP of -0.86, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-5-oxo-4-pyridin-3-ylimidazolidin-4-yl)propanoic acid is sourced from PubChem (CID 154981324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).