4-oxo-3-prop-2-enoxypiperidine-1-carboxylic acid

C9H13NO4 — CID 67549370

IUPAC4-oxo-3-prop-2-enoxypiperidine-1-carboxylic acid
SMILESC=CCOC1CN(C(=O)O)CCC1=O
InChIInChI=1S/C9H13NO4/c1-2-5-14-8-6-10(9(12)13)4-3-7(8)11/h2,8H,1,3-6H2,(H,12,13)
InChIKeyLXZHHPXCXVMTNX-UHFFFAOYSA-N
MW199.21 g/mol
LogP0.51
Rot. Bonds3

About 4-oxo-3-prop-2-enoxypiperidine-1-carboxylic acid

4-oxo-3-prop-2-enoxypiperidine-1-carboxylic acid (PubChem CID 67549370) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is 4-oxo-3-prop-2-enoxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-oxo-3-prop-2-enoxypiperidine-1-carboxylic acid
PubChem CID67549370
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Name4-oxo-3-prop-2-enoxypiperidine-1-carboxylic acid
SMILESC=CCOC1CN(C(=O)O)CCC1=O
InChIInChI=1S/C9H13NO4/c1-2-5-14-8-6-10(9(12)13)4-3-7(8)11/h2,8H,1,3-6H2,(H,12,13)
InChIKeyLXZHHPXCXVMTNX-UHFFFAOYSA-N
XLogP0.51
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-3-prop-2-enoxypiperidine-1-carboxylic acid?
The IUPAC name of 4-oxo-3-prop-2-enoxypiperidine-1-carboxylic acid (CID 67549370) is 4-oxo-3-prop-2-enoxypiperidine-1-carboxylic acid.
What is the SMILES notation for 4-oxo-3-prop-2-enoxypiperidine-1-carboxylic acid?
The canonical SMILES for 4-oxo-3-prop-2-enoxypiperidine-1-carboxylic acid is C=CCOC1CN(C(=O)O)CCC1=O.
What is the InChIKey of 4-oxo-3-prop-2-enoxypiperidine-1-carboxylic acid?
The InChIKey is LXZHHPXCXVMTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4/c1-2-5-14-8-6-10(9(12)13)4-3-7(8)11/h2,8H,1,3-6H2,(H,12,13).
What are the key properties of 4-oxo-3-prop-2-enoxypiperidine-1-carboxylic acid?
4-oxo-3-prop-2-enoxypiperidine-1-carboxylic acid has a molecular weight of 199.21 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-3-prop-2-enoxypiperidine-1-carboxylic acid is sourced from PubChem (CID 67549370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).