4-(3-oxopropoxy)piperidine-1-carboxylic acid

C9H15NO4 — CID 176652743

IUPAC4-(3-oxopropoxy)piperidine-1-carboxylic acid
SMILESO=CCCOC1CCN(C(=O)O)CC1
InChIInChI=1S/C9H15NO4/c11-6-1-7-14-8-2-4-10(5-3-8)9(12)13/h6,8H,1-5,7H2,(H,12,13)
InChIKeyIZSDTGJDEHPANY-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.73
Rot. Bonds4

About 4-(3-oxopropoxy)piperidine-1-carboxylic acid

4-(3-oxopropoxy)piperidine-1-carboxylic acid (PubChem CID 176652743) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 4-(3-oxopropoxy)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(3-oxopropoxy)piperidine-1-carboxylic acid
PubChem CID176652743
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name4-(3-oxopropoxy)piperidine-1-carboxylic acid
SMILESO=CCCOC1CCN(C(=O)O)CC1
InChIInChI=1S/C9H15NO4/c11-6-1-7-14-8-2-4-10(5-3-8)9(12)13/h6,8H,1-5,7H2,(H,12,13)
InChIKeyIZSDTGJDEHPANY-UHFFFAOYSA-N
XLogP0.73
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-oxopropoxy)piperidine-1-carboxylic acid?
The IUPAC name of 4-(3-oxopropoxy)piperidine-1-carboxylic acid (CID 176652743) is 4-(3-oxopropoxy)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(3-oxopropoxy)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(3-oxopropoxy)piperidine-1-carboxylic acid is O=CCCOC1CCN(C(=O)O)CC1.
What is the InChIKey of 4-(3-oxopropoxy)piperidine-1-carboxylic acid?
The InChIKey is IZSDTGJDEHPANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c11-6-1-7-14-8-2-4-10(5-3-8)9(12)13/h6,8H,1-5,7H2,(H,12,13).
What are the key properties of 4-(3-oxopropoxy)piperidine-1-carboxylic acid?
4-(3-oxopropoxy)piperidine-1-carboxylic acid has a molecular weight of 201.22 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-oxopropoxy)piperidine-1-carboxylic acid is sourced from PubChem (CID 176652743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).