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

C10H15NO3 — CID 102659604

IUPAC2-(1-but-2-ynyl-3-methylazetidin-3-yl)oxyacetic acid
SMILESCC#CCN1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C10H15NO3/c1-3-4-5-11-7-10(2,8-11)14-6-9(12)13/h5-8H2,1-2H3,(H,12,13)
InChIKeyAOFUJFHAWQEDPM-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.19
Rot. Bonds4

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

2-(1-but-2-ynyl-3-methylazetidin-3-yl)oxyacetic acid (PubChem CID 102659604) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-(1-but-2-ynyl-3-methylazetidin-3-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(1-but-2-ynyl-3-methylazetidin-3-yl)oxyacetic acid
PubChem CID102659604
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name2-(1-but-2-ynyl-3-methylazetidin-3-yl)oxyacetic acid
SMILESCC#CCN1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C10H15NO3/c1-3-4-5-11-7-10(2,8-11)14-6-9(12)13/h5-8H2,1-2H3,(H,12,13)
InChIKeyAOFUJFHAWQEDPM-UHFFFAOYSA-N
XLogP0.19
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2-hydroxypropyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659347
2-[3-methyl-1-(2-methylsulfanylethyl)azetidin-3-yl]oxyacetic acid
CID 102659384
2-[1-(3-aminopropyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659532
2-[1-[(E)-but-2-enyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659302
2-[1-(2-ethylsulfonylethyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659654
2-[1-(2-methoxypropyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659454
2-[1-[[1-(cyanomethyl)cyclopropyl]methyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659615
2-[1-[2-(azetidin-1-yl)-2-oxoethyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659707
2-[1-(1-cyanopropyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659746
2-[1-[(4-chlorophenyl)methyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659248
2-[3-methyl-1-(3-phenylprop-2-ynoyl)azetidin-3-yl]oxyacetic acid
CID 102657096
2-[3-methyl-1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]azetidin-3-yl]oxyacetic acid
CID 102659222

Frequently Asked Questions

What is the IUPAC name of 2-(1-but-2-ynyl-3-methylazetidin-3-yl)oxyacetic acid?
The IUPAC name of 2-(1-but-2-ynyl-3-methylazetidin-3-yl)oxyacetic acid (CID 102659604) is 2-(1-but-2-ynyl-3-methylazetidin-3-yl)oxyacetic acid.
What is the SMILES notation for 2-(1-but-2-ynyl-3-methylazetidin-3-yl)oxyacetic acid?
The canonical SMILES for 2-(1-but-2-ynyl-3-methylazetidin-3-yl)oxyacetic acid is CC#CCN1CC(C)(OCC(=O)O)C1.
What is the InChIKey of 2-(1-but-2-ynyl-3-methylazetidin-3-yl)oxyacetic acid?
The InChIKey is AOFUJFHAWQEDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-3-4-5-11-7-10(2,8-11)14-6-9(12)13/h5-8H2,1-2H3,(H,12,13).
What are the key properties of 2-(1-but-2-ynyl-3-methylazetidin-3-yl)oxyacetic acid?
2-(1-but-2-ynyl-3-methylazetidin-3-yl)oxyacetic acid has a molecular weight of 197.23 g/mol, XLogP of 0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-but-2-ynyl-3-methylazetidin-3-yl)oxyacetic acid is sourced from PubChem (CID 102659604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).