2-[3-methyl-1-(4-propylpiperazine-1-carbonyl)azetidin-3-yl]oxyacetic acid

C14H25N3O4 — CID 102658445

IUPAC2-[3-methyl-1-(4-propylpiperazine-1-carbonyl)azetidin-3-yl]oxyacetic acid
SMILESCCCN1CCN(C(=O)N2CC(C)(OCC(=O)O)C2)CC1
InChIInChI=1S/C14H25N3O4/c1-3-4-15-5-7-16(8-6-15)13(20)17-10-14(2,11-17)21-9-12(18)19/h3-11H2,1-2H3,(H,18,19)
InChIKeyURBSQAIBDSBJKC-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.31
Rot. Bonds5

About 2-[3-methyl-1-(4-propylpiperazine-1-carbonyl)azetidin-3-yl]oxyacetic acid

2-[3-methyl-1-(4-propylpiperazine-1-carbonyl)azetidin-3-yl]oxyacetic acid (PubChem CID 102658445) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[3-methyl-1-(4-propylpiperazine-1-carbonyl)azetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[3-methyl-1-(4-propylpiperazine-1-carbonyl)azetidin-3-yl]oxyacetic acid
PubChem CID102658445
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name2-[3-methyl-1-(4-propylpiperazine-1-carbonyl)azetidin-3-yl]oxyacetic acid
SMILESCCCN1CCN(C(=O)N2CC(C)(OCC(=O)O)C2)CC1
InChIInChI=1S/C14H25N3O4/c1-3-4-15-5-7-16(8-6-15)13(20)17-10-14(2,11-17)21-9-12(18)19/h3-11H2,1-2H3,(H,18,19)
InChIKeyURBSQAIBDSBJKC-UHFFFAOYSA-N
XLogP0.31
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-1-(4-propylpiperazine-1-carbonyl)azetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[3-methyl-1-(4-propylpiperazine-1-carbonyl)azetidin-3-yl]oxyacetic acid (CID 102658445) is 2-[3-methyl-1-(4-propylpiperazine-1-carbonyl)azetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[3-methyl-1-(4-propylpiperazine-1-carbonyl)azetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[3-methyl-1-(4-propylpiperazine-1-carbonyl)azetidin-3-yl]oxyacetic acid is CCCN1CCN(C(=O)N2CC(C)(OCC(=O)O)C2)CC1.
What is the InChIKey of 2-[3-methyl-1-(4-propylpiperazine-1-carbonyl)azetidin-3-yl]oxyacetic acid?
The InChIKey is URBSQAIBDSBJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-3-4-15-5-7-16(8-6-15)13(20)17-10-14(2,11-17)21-9-12(18)19/h3-11H2,1-2H3,(H,18,19).
What are the key properties of 2-[3-methyl-1-(4-propylpiperazine-1-carbonyl)azetidin-3-yl]oxyacetic acid?
2-[3-methyl-1-(4-propylpiperazine-1-carbonyl)azetidin-3-yl]oxyacetic acid has a molecular weight of 299.37 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-1-(4-propylpiperazine-1-carbonyl)azetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102658445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).