2-[1-[tert-butyl(prop-2-enyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid

C14H24N2O4 — CID 102659075

IUPAC2-[1-[tert-butyl(prop-2-enyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
SMILESC=CCN(C(=O)N1CC(C)(OCC(=O)O)C1)C(C)(C)C
InChIInChI=1S/C14H24N2O4/c1-6-7-16(13(2,3)4)12(19)15-9-14(5,10-15)20-8-11(17)18/h6H,1,7-10H2,2-5H3,(H,17,18)
InChIKeyRXFIUJKOOQTBBO-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.57
Rot. Bonds5

About 2-[1-[tert-butyl(prop-2-enyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid

2-[1-[tert-butyl(prop-2-enyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid (PubChem CID 102659075) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[1-[tert-butyl(prop-2-enyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[tert-butyl(prop-2-enyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
PubChem CID102659075
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name2-[1-[tert-butyl(prop-2-enyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
SMILESC=CCN(C(=O)N1CC(C)(OCC(=O)O)C1)C(C)(C)C
InChIInChI=1S/C14H24N2O4/c1-6-7-16(13(2,3)4)12(19)15-9-14(5,10-15)20-8-11(17)18/h6H,1,7-10H2,2-5H3,(H,17,18)
InChIKeyRXFIUJKOOQTBBO-UHFFFAOYSA-N
XLogP1.57
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.57
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-[tert-butyl(prop-2-enyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[1-[tert-butyl(prop-2-enyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid (CID 102659075) is 2-[1-[tert-butyl(prop-2-enyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[tert-butyl(prop-2-enyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[tert-butyl(prop-2-enyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid is C=CCN(C(=O)N1CC(C)(OCC(=O)O)C1)C(C)(C)C.
What is the InChIKey of 2-[1-[tert-butyl(prop-2-enyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid?
The InChIKey is RXFIUJKOOQTBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-6-7-16(13(2,3)4)12(19)15-9-14(5,10-15)20-8-11(17)18/h6H,1,7-10H2,2-5H3,(H,17,18).
What are the key properties of 2-[1-[tert-butyl(prop-2-enyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid?
2-[1-[tert-butyl(prop-2-enyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid has a molecular weight of 284.36 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[tert-butyl(prop-2-enyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102659075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).