2-carbonochloridoylazetidine-1-carboxylic acid

C5H6ClNO3 — CID 152639531

IUPAC2-carbonochloridoylazetidine-1-carboxylic acid
SMILESO=C(Cl)C1CCN1C(=O)O
InChIInChI=1S/C5H6ClNO3/c6-4(8)3-1-2-7(3)5(9)10/h3H,1-2H2,(H,9,10)
InChIKeyZFGFEFMSZPUCLF-UHFFFAOYSA-N
MW163.56 g/mol
LogP0.50
Rot. Bonds1

About 2-carbonochloridoylazetidine-1-carboxylic acid

2-carbonochloridoylazetidine-1-carboxylic acid (PubChem CID 152639531) has the molecular formula C5H6ClNO3 and a molecular weight of 163.56 g/mol. Its IUPAC name is 2-carbonochloridoylazetidine-1-carboxylic acid.

Molecular Properties

Compound Name2-carbonochloridoylazetidine-1-carboxylic acid
PubChem CID152639531
Molecular FormulaC5H6ClNO3
Molecular Weight163.56 g/mol
Exact Mass163.00
IUPAC Name2-carbonochloridoylazetidine-1-carboxylic acid
SMILESO=C(Cl)C1CCN1C(=O)O
InChIInChI=1S/C5H6ClNO3/c6-4(8)3-1-2-7(3)5(9)10/h3H,1-2H2,(H,9,10)
InChIKeyZFGFEFMSZPUCLF-UHFFFAOYSA-N
XLogP0.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.56
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-carbamoylazetidine-1-carboxylic acid
CID 66897178
2-azabicyclo[3.2.2]nonane-2-carboxylic acid
CID 67027465
2-(2-amino-3-methylbutanoyl)azetidine-1-carboxylic acid
CID 22341714
(2R,4S)-4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid
CID 162368053
1-chloropyrrolidine-2-carbonyl chloride
CID 174531062
(2R,3S)-2-methylpyrrolidine-1,3-dicarboxylic acid
CID 137367540
2-fluoropyrrolidine-1-carboxylic acid
CID 23110189
5-carbonochloridoyl-4-azaspiro[2.4]heptane-4-carboxylic acid
CID 91371121
(2S)-1-(2,2,3,3,3-pentafluoropropanoyl)pyrrolidine-2-carbonyl chloride
CID 54033998
2-(2-aminoethyl)-4-hydroxypiperidine-1-carboxylic acid
CID 121306001
2-(bromomethyl)azetidine-1-carboxylic acid
CID 154005455
2-(dimethylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 89401620

Frequently Asked Questions

What is the IUPAC name of 2-carbonochloridoylazetidine-1-carboxylic acid?
The IUPAC name of 2-carbonochloridoylazetidine-1-carboxylic acid (CID 152639531) is 2-carbonochloridoylazetidine-1-carboxylic acid.
What is the SMILES notation for 2-carbonochloridoylazetidine-1-carboxylic acid?
The canonical SMILES for 2-carbonochloridoylazetidine-1-carboxylic acid is O=C(Cl)C1CCN1C(=O)O.
What is the InChIKey of 2-carbonochloridoylazetidine-1-carboxylic acid?
The InChIKey is ZFGFEFMSZPUCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClNO3/c6-4(8)3-1-2-7(3)5(9)10/h3H,1-2H2,(H,9,10).
What are the key properties of 2-carbonochloridoylazetidine-1-carboxylic acid?
2-carbonochloridoylazetidine-1-carboxylic acid has a molecular weight of 163.56 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbonochloridoylazetidine-1-carboxylic acid is sourced from PubChem (CID 152639531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).