2-[1-[ethyl(2-methylprop-2-enyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid

C13H22N2O4 — CID 102658492

IUPAC2-[1-[ethyl(2-methylprop-2-enyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
SMILESC=C(C)CN(CC)C(=O)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C13H22N2O4/c1-5-14(6-10(2)3)12(18)15-8-13(4,9-15)19-7-11(16)17/h2,5-9H2,1,3-4H3,(H,16,17)
InChIKeyDWSHAFHAKGROLG-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.18
Rot. Bonds6

About 2-[1-[ethyl(2-methylprop-2-enyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid

2-[1-[ethyl(2-methylprop-2-enyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid (PubChem CID 102658492) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[1-[ethyl(2-methylprop-2-enyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[ethyl(2-methylprop-2-enyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
PubChem CID102658492
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name2-[1-[ethyl(2-methylprop-2-enyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
SMILESC=C(C)CN(CC)C(=O)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C13H22N2O4/c1-5-14(6-10(2)3)12(18)15-8-13(4,9-15)19-7-11(16)17/h2,5-9H2,1,3-4H3,(H,16,17)
InChIKeyDWSHAFHAKGROLG-UHFFFAOYSA-N
XLogP1.18
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[ethyl(2-methylprop-2-enyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[1-[ethyl(2-methylprop-2-enyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid (CID 102658492) is 2-[1-[ethyl(2-methylprop-2-enyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[ethyl(2-methylprop-2-enyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[ethyl(2-methylprop-2-enyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid is C=C(C)CN(CC)C(=O)N1CC(C)(OCC(=O)O)C1.
What is the InChIKey of 2-[1-[ethyl(2-methylprop-2-enyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid?
The InChIKey is DWSHAFHAKGROLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-5-14(6-10(2)3)12(18)15-8-13(4,9-15)19-7-11(16)17/h2,5-9H2,1,3-4H3,(H,16,17).
What are the key properties of 2-[1-[ethyl(2-methylprop-2-enyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid?
2-[1-[ethyl(2-methylprop-2-enyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid has a molecular weight of 270.33 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[ethyl(2-methylprop-2-enyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102658492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).