4-carbonochloridoylpiperidine-1-carboxylic acid

C7H10ClNO3 — CID 22269391

IUPAC4-carbonochloridoylpiperidine-1-carboxylic acid
SMILESO=C(Cl)C1CCN(C(=O)O)CC1
InChIInChI=1S/C7H10ClNO3/c8-6(10)5-1-3-9(4-2-5)7(11)12/h5H,1-4H2,(H,11,12)
InChIKeyVFHHLXWICXSCSY-UHFFFAOYSA-N
MW191.61 g/mol
LogP1.14
Rot. Bonds1

About 4-carbonochloridoylpiperidine-1-carboxylic acid

4-carbonochloridoylpiperidine-1-carboxylic acid (PubChem CID 22269391) has the molecular formula C7H10ClNO3 and a molecular weight of 191.61 g/mol. Its IUPAC name is 4-carbonochloridoylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-carbonochloridoylpiperidine-1-carboxylic acid
PubChem CID22269391
Molecular FormulaC7H10ClNO3
Molecular Weight191.61 g/mol
Exact Mass191.03
IUPAC Name4-carbonochloridoylpiperidine-1-carboxylic acid
SMILESO=C(Cl)C1CCN(C(=O)O)CC1
InChIInChI=1S/C7H10ClNO3/c8-6(10)5-1-3-9(4-2-5)7(11)12/h5H,1-4H2,(H,11,12)
InChIKeyVFHHLXWICXSCSY-UHFFFAOYSA-N
XLogP1.14
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.61
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-carbonochloridoylpiperidine-1-carboxylic acid?
The IUPAC name of 4-carbonochloridoylpiperidine-1-carboxylic acid (CID 22269391) is 4-carbonochloridoylpiperidine-1-carboxylic acid.
What is the SMILES notation for 4-carbonochloridoylpiperidine-1-carboxylic acid?
The canonical SMILES for 4-carbonochloridoylpiperidine-1-carboxylic acid is O=C(Cl)C1CCN(C(=O)O)CC1.
What is the InChIKey of 4-carbonochloridoylpiperidine-1-carboxylic acid?
The InChIKey is VFHHLXWICXSCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNO3/c8-6(10)5-1-3-9(4-2-5)7(11)12/h5H,1-4H2,(H,11,12).
What are the key properties of 4-carbonochloridoylpiperidine-1-carboxylic acid?
4-carbonochloridoylpiperidine-1-carboxylic acid has a molecular weight of 191.61 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbonochloridoylpiperidine-1-carboxylic acid is sourced from PubChem (CID 22269391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).