2-[1-(1-aminocyclopropanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid

C10H16N2O4 — CID 102658143

IUPAC2-[1-(1-aminocyclopropanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(C(=O)C2(N)CC2)C1
InChIInChI=1S/C10H16N2O4/c1-9(16-4-7(13)14)5-12(6-9)8(15)10(11)2-3-10/h2-6,11H2,1H3,(H,13,14)
InChIKeyGBZIQOKSKPVNIB-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.82
Rot. Bonds4

About 2-[1-(1-aminocyclopropanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid

2-[1-(1-aminocyclopropanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid (PubChem CID 102658143) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-[1-(1-aminocyclopropanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(1-aminocyclopropanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid
PubChem CID102658143
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name2-[1-(1-aminocyclopropanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(C(=O)C2(N)CC2)C1
InChIInChI=1S/C10H16N2O4/c1-9(16-4-7(13)14)5-12(6-9)8(15)10(11)2-3-10/h2-6,11H2,1H3,(H,13,14)
InChIKeyGBZIQOKSKPVNIB-UHFFFAOYSA-N
XLogP-0.82
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-aminocyclopropanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[1-(1-aminocyclopropanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid (CID 102658143) is 2-[1-(1-aminocyclopropanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(1-aminocyclopropanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(1-aminocyclopropanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid is CC1(OCC(=O)O)CN(C(=O)C2(N)CC2)C1.
What is the InChIKey of 2-[1-(1-aminocyclopropanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid?
The InChIKey is GBZIQOKSKPVNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-9(16-4-7(13)14)5-12(6-9)8(15)10(11)2-3-10/h2-6,11H2,1H3,(H,13,14).
What are the key properties of 2-[1-(1-aminocyclopropanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid?
2-[1-(1-aminocyclopropanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid has a molecular weight of 228.25 g/mol, XLogP of -0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-aminocyclopropanecarbonyl)-3-methylazetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102658143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).