2-[3-(4-methylpiperazin-1-yl)azetidin-3-yl]acetic acid

C10H19N3O2 — CID 107141424

IUPAC2-[3-(4-methylpiperazin-1-yl)azetidin-3-yl]acetic acid
SMILESCN1CCN(C2(CC(=O)O)CNC2)CC1
InChIInChI=1S/C10H19N3O2/c1-12-2-4-13(5-3-12)10(6-9(14)15)7-11-8-10/h11H,2-8H2,1H3,(H,14,15)
InChIKeyUMUXJNVJTUYONX-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.95
Rot. Bonds3

About 2-[3-(4-methylpiperazin-1-yl)azetidin-3-yl]acetic acid

2-[3-(4-methylpiperazin-1-yl)azetidin-3-yl]acetic acid (PubChem CID 107141424) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[3-(4-methylpiperazin-1-yl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(4-methylpiperazin-1-yl)azetidin-3-yl]acetic acid
PubChem CID107141424
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name2-[3-(4-methylpiperazin-1-yl)azetidin-3-yl]acetic acid
SMILESCN1CCN(C2(CC(=O)O)CNC2)CC1
InChIInChI=1S/C10H19N3O2/c1-12-2-4-13(5-3-12)10(6-9(14)15)7-11-8-10/h11H,2-8H2,1H3,(H,14,15)
InChIKeyUMUXJNVJTUYONX-UHFFFAOYSA-N
XLogP-0.95
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(azepan-1-yl)azetidin-3-yl]acetic acid
CID 107141430
2-[1-(4-methylpiperazin-1-yl)cyclopentyl]acetic acid
CID 65422294
2-[4,4-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexyl]acetic acid
CID 65419694
2-[3-[4-(dimethylamino)piperidin-1-yl]azetidin-3-yl]acetic acid
CID 107141559
2-[3-(3,3-dimethylpiperidin-1-yl)azetidin-3-yl]acetic acid
CID 107141855
2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-3-yl]acetic acid
CID 107141454
2-[3-[4-(trifluoromethyl)piperidin-1-yl]azetidin-3-yl]acetic acid
CID 107141882
2-[3-(4-methylpiperazin-1-yl)azetidin-3-yl]acetonitrile;2,2,2-trifluoroacetic acid
CID 175542488
2-[3-methyl-1-(4-methylpiperazin-1-yl)cyclohexyl]acetic acid
CID 65421643
2-[3-ethoxy-1-(4-methylpiperazin-1-yl)cyclobutyl]acetic acid
CID 106824241
2-[3-(4-piperidin-1-ylpiperidin-1-yl)azetidin-3-yl]acetic acid
CID 107141587
2-[3-(3,4-dimethoxypyrrolidin-1-yl)azetidin-3-yl]acetic acid
CID 107143242

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylpiperazin-1-yl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-(4-methylpiperazin-1-yl)azetidin-3-yl]acetic acid (CID 107141424) is 2-[3-(4-methylpiperazin-1-yl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-(4-methylpiperazin-1-yl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-(4-methylpiperazin-1-yl)azetidin-3-yl]acetic acid is CN1CCN(C2(CC(=O)O)CNC2)CC1.
What is the InChIKey of 2-[3-(4-methylpiperazin-1-yl)azetidin-3-yl]acetic acid?
The InChIKey is UMUXJNVJTUYONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-12-2-4-13(5-3-12)10(6-9(14)15)7-11-8-10/h11H,2-8H2,1H3,(H,14,15).
What are the key properties of 2-[3-(4-methylpiperazin-1-yl)azetidin-3-yl]acetic acid?
2-[3-(4-methylpiperazin-1-yl)azetidin-3-yl]acetic acid has a molecular weight of 213.28 g/mol, XLogP of -0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylpiperazin-1-yl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 107141424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).