2-[1-(2-piperazin-1-ylacetyl)azetidin-3-yl]acetic acid

C11H19N3O3 — CID 64605811

IUPAC2-[1-(2-piperazin-1-ylacetyl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)CN2CCNCC2)C1
InChIInChI=1S/C11H19N3O3/c15-10(8-13-3-1-12-2-4-13)14-6-9(7-14)5-11(16)17/h9,12H,1-8H2,(H,16,17)
InChIKeyJCGHGLIIJPXBRK-UHFFFAOYSA-N
MW241.29 g/mol
LogP-1.18
Rot. Bonds4

About 2-[1-(2-piperazin-1-ylacetyl)azetidin-3-yl]acetic acid

2-[1-(2-piperazin-1-ylacetyl)azetidin-3-yl]acetic acid (PubChem CID 64605811) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[1-(2-piperazin-1-ylacetyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-piperazin-1-ylacetyl)azetidin-3-yl]acetic acid
PubChem CID64605811
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name2-[1-(2-piperazin-1-ylacetyl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)CN2CCNCC2)C1
InChIInChI=1S/C11H19N3O3/c15-10(8-13-3-1-12-2-4-13)14-6-9(7-14)5-11(16)17/h9,12H,1-8H2,(H,16,17)
InChIKeyJCGHGLIIJPXBRK-UHFFFAOYSA-N
XLogP-1.18
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-piperazin-1-ylacetyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(2-piperazin-1-ylacetyl)azetidin-3-yl]acetic acid (CID 64605811) is 2-[1-(2-piperazin-1-ylacetyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-piperazin-1-ylacetyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2-piperazin-1-ylacetyl)azetidin-3-yl]acetic acid is O=C(O)CC1CN(C(=O)CN2CCNCC2)C1.
What is the InChIKey of 2-[1-(2-piperazin-1-ylacetyl)azetidin-3-yl]acetic acid?
The InChIKey is JCGHGLIIJPXBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c15-10(8-13-3-1-12-2-4-13)14-6-9(7-14)5-11(16)17/h9,12H,1-8H2,(H,16,17).
What are the key properties of 2-[1-(2-piperazin-1-ylacetyl)azetidin-3-yl]acetic acid?
2-[1-(2-piperazin-1-ylacetyl)azetidin-3-yl]acetic acid has a molecular weight of 241.29 g/mol, XLogP of -1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-piperazin-1-ylacetyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 64605811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).