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

C11H13N3O4 — CID 64605362

IUPAC2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)Cn2cccnc2=O)C1
InChIInChI=1S/C11H13N3O4/c15-9(7-13-3-1-2-12-11(13)18)14-5-8(6-14)4-10(16)17/h1-3,8H,4-7H2,(H,16,17)
InChIKeySWDSXPCPMABFOQ-UHFFFAOYSA-N
MW251.24 g/mol
LogP-0.82
Rot. Bonds4

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

2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]azetidin-3-yl]acetic acid (PubChem CID 64605362) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is 2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]azetidin-3-yl]acetic acid
PubChem CID64605362
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)Cn2cccnc2=O)C1
InChIInChI=1S/C11H13N3O4/c15-9(7-13-3-1-2-12-11(13)18)14-5-8(6-14)4-10(16)17/h1-3,8H,4-7H2,(H,16,17)
InChIKeySWDSXPCPMABFOQ-UHFFFAOYSA-N
XLogP-0.82
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 5-0.82
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]acetic acid?
The IUPAC name of 2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]azetidin-3-yl]acetic acid (CID 64605362) is 2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]azetidin-3-yl]acetic acid is O=C(O)CC1CN(C(=O)Cn2cccnc2=O)C1.
What is the InChIKey of 2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]azetidin-3-yl]acetic acid?
The InChIKey is SWDSXPCPMABFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4/c15-9(7-13-3-1-2-12-11(13)18)14-5-8(6-14)4-10(16)17/h1-3,8H,4-7H2,(H,16,17).
What are the key properties of 2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]azetidin-3-yl]acetic acid?
2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]azetidin-3-yl]acetic acid has a molecular weight of 251.24 g/mol, XLogP of -0.82, 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]acetic acid is sourced from PubChem (CID 64605362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).