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

C12H20N2O4 — CID 102658169

IUPAC2-[3-methyl-1-(3-methylpyrrolidine-3-carbonyl)azetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(C(=O)C2(C)CCNC2)C1
InChIInChI=1S/C12H20N2O4/c1-11(3-4-13-6-11)10(17)14-7-12(2,8-14)18-5-9(15)16/h13H,3-8H2,1-2H3,(H,15,16)
InChIKeyILUGPFXCSLOKJM-UHFFFAOYSA-N
MW256.30 g/mol
LogP-0.31
Rot. Bonds4

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

2-[3-methyl-1-(3-methylpyrrolidine-3-carbonyl)azetidin-3-yl]oxyacetic acid (PubChem CID 102658169) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[3-methyl-1-(3-methylpyrrolidine-3-carbonyl)azetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[3-methyl-1-(3-methylpyrrolidine-3-carbonyl)azetidin-3-yl]oxyacetic acid
PubChem CID102658169
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-[3-methyl-1-(3-methylpyrrolidine-3-carbonyl)azetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(C(=O)C2(C)CCNC2)C1
InChIInChI=1S/C12H20N2O4/c1-11(3-4-13-6-11)10(17)14-7-12(2,8-14)18-5-9(15)16/h13H,3-8H2,1-2H3,(H,15,16)
InChIKeyILUGPFXCSLOKJM-UHFFFAOYSA-N
XLogP-0.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-1-(3-methylpyrrolidine-3-carbonyl)azetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[3-methyl-1-(3-methylpyrrolidine-3-carbonyl)azetidin-3-yl]oxyacetic acid (CID 102658169) is 2-[3-methyl-1-(3-methylpyrrolidine-3-carbonyl)azetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[3-methyl-1-(3-methylpyrrolidine-3-carbonyl)azetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[3-methyl-1-(3-methylpyrrolidine-3-carbonyl)azetidin-3-yl]oxyacetic acid is CC1(OCC(=O)O)CN(C(=O)C2(C)CCNC2)C1.
What is the InChIKey of 2-[3-methyl-1-(3-methylpyrrolidine-3-carbonyl)azetidin-3-yl]oxyacetic acid?
The InChIKey is ILUGPFXCSLOKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-11(3-4-13-6-11)10(17)14-7-12(2,8-14)18-5-9(15)16/h13H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 2-[3-methyl-1-(3-methylpyrrolidine-3-carbonyl)azetidin-3-yl]oxyacetic acid?
2-[3-methyl-1-(3-methylpyrrolidine-3-carbonyl)azetidin-3-yl]oxyacetic acid has a molecular weight of 256.30 g/mol, XLogP of -0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-1-(3-methylpyrrolidine-3-carbonyl)azetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102658169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).