2-(1-but-3-enoyl-3-methylazetidin-3-yl)oxyacetic acid

C10H15NO4 — CID 102657283

IUPAC2-(1-but-3-enoyl-3-methylazetidin-3-yl)oxyacetic acid
SMILESC=CCC(=O)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C10H15NO4/c1-3-4-8(12)11-6-10(2,7-11)15-5-9(13)14/h3H,1,4-7H2,2H3,(H,13,14)
InChIKeyPQGWAGFNXTZWQR-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.26
Rot. Bonds5

About 2-(1-but-3-enoyl-3-methylazetidin-3-yl)oxyacetic acid

2-(1-but-3-enoyl-3-methylazetidin-3-yl)oxyacetic acid (PubChem CID 102657283) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 2-(1-but-3-enoyl-3-methylazetidin-3-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(1-but-3-enoyl-3-methylazetidin-3-yl)oxyacetic acid
PubChem CID102657283
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name2-(1-but-3-enoyl-3-methylazetidin-3-yl)oxyacetic acid
SMILESC=CCC(=O)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C10H15NO4/c1-3-4-8(12)11-6-10(2,7-11)15-5-9(13)14/h3H,1,4-7H2,2H3,(H,13,14)
InChIKeyPQGWAGFNXTZWQR-UHFFFAOYSA-N
XLogP0.26
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-({3-Methyl-1-[(prop-2-en-1-yloxy)carbonyl]azetidin-3-yl}oxy)acetic acid
CID 102657142
2-(3-Methyl-1-propanoylazetidin-3-yl)oxyacetic acid
CID 102657159
2-[(1-Acetyl-3-methylazetidin-3-yl)oxy]acetic acid
CID 102657180
2-[1-(2-Methoxyacetyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102657221
2-(3-Methyl-1-pent-4-enoylazetidin-3-yl)oxyacetic acid
CID 102657282
2-[1-[(E)-but-2-enoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102657363
2-(3-Methyl-1-prop-2-enoylazetidin-3-yl)oxyacetic acid
CID 102657496
2-[3-methyl-1-[(Z)-2-methylpent-2-enoyl]azetidin-3-yl]oxyacetic acid
CID 102657539
2-[3-Methyl-1-(3-methylbut-2-enoyl)azetidin-3-yl]oxyacetic acid
CID 102657544
2-(3-Methyl-1-prop-2-enylazetidin-3-yl)oxyacetic acid
CID 102659252
2-(1-But-3-enyl-3-methylazetidin-3-yl)oxyacetic acid
CID 102659538
2-(3-Methyl-1-pent-4-enylazetidin-3-yl)oxyacetic acid
CID 102659690

Frequently Asked Questions

What is the IUPAC name of 2-(1-but-3-enoyl-3-methylazetidin-3-yl)oxyacetic acid?
The IUPAC name of 2-(1-but-3-enoyl-3-methylazetidin-3-yl)oxyacetic acid (CID 102657283) is 2-(1-but-3-enoyl-3-methylazetidin-3-yl)oxyacetic acid.
What is the SMILES notation for 2-(1-but-3-enoyl-3-methylazetidin-3-yl)oxyacetic acid?
The canonical SMILES for 2-(1-but-3-enoyl-3-methylazetidin-3-yl)oxyacetic acid is C=CCC(=O)N1CC(C)(OCC(=O)O)C1.
What is the InChIKey of 2-(1-but-3-enoyl-3-methylazetidin-3-yl)oxyacetic acid?
The InChIKey is PQGWAGFNXTZWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-3-4-8(12)11-6-10(2,7-11)15-5-9(13)14/h3H,1,4-7H2,2H3,(H,13,14).
What are the key properties of 2-(1-but-3-enoyl-3-methylazetidin-3-yl)oxyacetic acid?
2-(1-but-3-enoyl-3-methylazetidin-3-yl)oxyacetic acid has a molecular weight of 213.23 g/mol, XLogP of 0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-but-3-enoyl-3-methylazetidin-3-yl)oxyacetic acid is sourced from PubChem (CID 102657283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).