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

C14H25N3O4 — CID 102658618

IUPAC2-[3-methyl-1-(4-propan-2-ylpiperazine-1-carbonyl)azetidin-3-yl]oxyacetic acid
SMILESCC(C)N1CCN(C(=O)N2CC(C)(OCC(=O)O)C2)CC1
InChIInChI=1S/C14H25N3O4/c1-11(2)15-4-6-16(7-5-15)13(20)17-9-14(3,10-17)21-8-12(18)19/h11H,4-10H2,1-3H3,(H,18,19)
InChIKeyPZGPEDLNUPUGTH-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.31
Rot. Bonds4

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

2-[3-methyl-1-(4-propan-2-ylpiperazine-1-carbonyl)azetidin-3-yl]oxyacetic acid (PubChem CID 102658618) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[3-methyl-1-(4-propan-2-ylpiperazine-1-carbonyl)azetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[3-methyl-1-(4-propan-2-ylpiperazine-1-carbonyl)azetidin-3-yl]oxyacetic acid
PubChem CID102658618
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name2-[3-methyl-1-(4-propan-2-ylpiperazine-1-carbonyl)azetidin-3-yl]oxyacetic acid
SMILESCC(C)N1CCN(C(=O)N2CC(C)(OCC(=O)O)C2)CC1
InChIInChI=1S/C14H25N3O4/c1-11(2)15-4-6-16(7-5-15)13(20)17-9-14(3,10-17)21-8-12(18)19/h11H,4-10H2,1-3H3,(H,18,19)
InChIKeyPZGPEDLNUPUGTH-UHFFFAOYSA-N
XLogP0.31
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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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Related Compounds

2-[1-(3,4-dihydroxypyrrolidine-1-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 106670657
2-[3-methyl-1-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)azetidin-3-yl]oxyacetic acid
CID 102659193
2-[1-[bis(2-methylpropyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102658652
2-[1-(4-hydroxy-3-methylpiperidine-1-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659203
2-[3-methyl-1-(4-methyl-3-oxo-1,4-diazepane-1-carbonyl)azetidin-3-yl]oxyacetic acid
CID 102891329
2-[1-(2-hydroxypropyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659347
2-[3-methyl-1-(2-methylsulfinylpropylcarbamoyl)azetidin-3-yl]oxyacetic acid
CID 102659149
2-(1-but-3-enoyl-3-methylazetidin-3-yl)oxyacetic acid
CID 102657283
2-[1-(2-amino-3,3-dimethylbutanoyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102658290
2-[1-(1-methoxy-3-methylbutan-2-yl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102660020
2-[1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102658788
2-[1-(2-methoxypropyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659454

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-1-(4-propan-2-ylpiperazine-1-carbonyl)azetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[3-methyl-1-(4-propan-2-ylpiperazine-1-carbonyl)azetidin-3-yl]oxyacetic acid (CID 102658618) is 2-[3-methyl-1-(4-propan-2-ylpiperazine-1-carbonyl)azetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[3-methyl-1-(4-propan-2-ylpiperazine-1-carbonyl)azetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[3-methyl-1-(4-propan-2-ylpiperazine-1-carbonyl)azetidin-3-yl]oxyacetic acid is CC(C)N1CCN(C(=O)N2CC(C)(OCC(=O)O)C2)CC1.
What is the InChIKey of 2-[3-methyl-1-(4-propan-2-ylpiperazine-1-carbonyl)azetidin-3-yl]oxyacetic acid?
The InChIKey is PZGPEDLNUPUGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-11(2)15-4-6-16(7-5-15)13(20)17-9-14(3,10-17)21-8-12(18)19/h11H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 2-[3-methyl-1-(4-propan-2-ylpiperazine-1-carbonyl)azetidin-3-yl]oxyacetic acid?
2-[3-methyl-1-(4-propan-2-ylpiperazine-1-carbonyl)azetidin-3-yl]oxyacetic acid has a molecular weight of 299.37 g/mol, XLogP of 0.31, 4 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-propan-2-ylpiperazine-1-carbonyl)azetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102658618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).