2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]azetidin-3-yl]propanoic acid

C12H15N3O4 — CID 116681387

IUPAC2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(C(=O)Cn2cccnc2=O)C1
InChIInChI=1S/C12H15N3O4/c1-8(11(17)18)9-5-15(6-9)10(16)7-14-4-2-3-13-12(14)19/h2-4,8-9H,5-7H2,1H3,(H,17,18)
InChIKeyDFKWSFYSYPSNBT-UHFFFAOYSA-N
MW265.27 g/mol
LogP-0.58
Rot. Bonds4

About 2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]azetidin-3-yl]propanoic acid

2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]azetidin-3-yl]propanoic acid (PubChem CID 116681387) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]azetidin-3-yl]propanoic acid
PubChem CID116681387
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(C(=O)Cn2cccnc2=O)C1
InChIInChI=1S/C12H15N3O4/c1-8(11(17)18)9-5-15(6-9)10(16)7-14-4-2-3-13-12(14)19/h2-4,8-9H,5-7H2,1H3,(H,17,18)
InChIKeyDFKWSFYSYPSNBT-UHFFFAOYSA-N
XLogP-0.58
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]azetidin-3-yl]propanoic acid (CID 116681387) is 2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]azetidin-3-yl]propanoic acid is CC(C(=O)O)C1CN(C(=O)Cn2cccnc2=O)C1.
What is the InChIKey of 2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]azetidin-3-yl]propanoic acid?
The InChIKey is DFKWSFYSYPSNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-8(11(17)18)9-5-15(6-9)10(16)7-14-4-2-3-13-12(14)19/h2-4,8-9H,5-7H2,1H3,(H,17,18).
What are the key properties of 2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]azetidin-3-yl]propanoic acid?
2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]azetidin-3-yl]propanoic acid has a molecular weight of 265.27 g/mol, XLogP of -0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116681387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).