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

C8H14N2O4 — CID 102657699

IUPAC2-[3-methyl-1-(methylcarbamoyl)azetidin-3-yl]oxyacetic acid
SMILESCNC(=O)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C8H14N2O4/c1-8(14-3-6(11)12)4-10(5-8)7(13)9-2/h3-5H2,1-2H3,(H,9,13)(H,11,12)
InChIKeyQPKBPKFUXBYUFU-UHFFFAOYSA-N
MW202.21 g/mol
LogP-0.50
Rot. Bonds3

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

2-[3-methyl-1-(methylcarbamoyl)azetidin-3-yl]oxyacetic acid (PubChem CID 102657699) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-[3-methyl-1-(methylcarbamoyl)azetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[3-methyl-1-(methylcarbamoyl)azetidin-3-yl]oxyacetic acid
PubChem CID102657699
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name2-[3-methyl-1-(methylcarbamoyl)azetidin-3-yl]oxyacetic acid
SMILESCNC(=O)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C8H14N2O4/c1-8(14-3-6(11)12)4-10(5-8)7(13)9-2/h3-5H2,1-2H3,(H,9,13)(H,11,12)
InChIKeyQPKBPKFUXBYUFU-UHFFFAOYSA-N
XLogP-0.50
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-1-(methylcarbamoyl)azetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[3-methyl-1-(methylcarbamoyl)azetidin-3-yl]oxyacetic acid (CID 102657699) is 2-[3-methyl-1-(methylcarbamoyl)azetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[3-methyl-1-(methylcarbamoyl)azetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[3-methyl-1-(methylcarbamoyl)azetidin-3-yl]oxyacetic acid is CNC(=O)N1CC(C)(OCC(=O)O)C1.
What is the InChIKey of 2-[3-methyl-1-(methylcarbamoyl)azetidin-3-yl]oxyacetic acid?
The InChIKey is QPKBPKFUXBYUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4/c1-8(14-3-6(11)12)4-10(5-8)7(13)9-2/h3-5H2,1-2H3,(H,9,13)(H,11,12).
What are the key properties of 2-[3-methyl-1-(methylcarbamoyl)azetidin-3-yl]oxyacetic acid?
2-[3-methyl-1-(methylcarbamoyl)azetidin-3-yl]oxyacetic acid has a molecular weight of 202.21 g/mol, XLogP of -0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-1-(methylcarbamoyl)azetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102657699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).