(4Z)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propylidenepiperidine-2-carboxylic acid

C14H23NO4 — CID 69221867

IUPAC(4Z)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propylidenepiperidine-2-carboxylic acid
SMILESCC/C=C1/CCN(C(=O)OC(C)(C)C)C(C(=O)O)C1
InChIInChI=1S/C14H23NO4/c1-5-6-10-7-8-15(11(9-10)12(16)17)13(18)19-14(2,3)4/h6,11H,5,7-9H2,1-4H3,(H,16,17)/b10-6-
InChIKeyKCOZOKQRZZQJDX-POHAHGRESA-N
MW269.34 g/mol
LogP2.81
Rot. Bonds2

About (4Z)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propylidenepiperidine-2-carboxylic acid

(4Z)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propylidenepiperidine-2-carboxylic acid (PubChem CID 69221867) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is (4Z)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propylidenepiperidine-2-carboxylic acid.

Molecular Properties

Compound Name(4Z)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propylidenepiperidine-2-carboxylic acid
PubChem CID69221867
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name(4Z)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propylidenepiperidine-2-carboxylic acid
SMILESCC/C=C1/CCN(C(=O)OC(C)(C)C)C(C(=O)O)C1
InChIInChI=1S/C14H23NO4/c1-5-6-10-7-8-15(11(9-10)12(16)17)13(18)19-14(2,3)4/h6,11H,5,7-9H2,1-4H3,(H,16,17)/b10-6-
InChIKeyKCOZOKQRZZQJDX-POHAHGRESA-N
XLogP2.81
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4Z)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propylidenepiperidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4Z)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propylidenepiperidine-2-carboxylic acid?
The IUPAC name of (4Z)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propylidenepiperidine-2-carboxylic acid (CID 69221867) is (4Z)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propylidenepiperidine-2-carboxylic acid.
What is the SMILES notation for (4Z)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propylidenepiperidine-2-carboxylic acid?
The canonical SMILES for (4Z)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propylidenepiperidine-2-carboxylic acid is CC/C=C1/CCN(C(=O)OC(C)(C)C)C(C(=O)O)C1.
What is the InChIKey of (4Z)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propylidenepiperidine-2-carboxylic acid?
The InChIKey is KCOZOKQRZZQJDX-POHAHGRESA-N. The full InChI is InChI=1S/C14H23NO4/c1-5-6-10-7-8-15(11(9-10)12(16)17)13(18)19-14(2,3)4/h6,11H,5,7-9H2,1-4H3,(H,16,17)/b10-6-.
What are the key properties of (4Z)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propylidenepiperidine-2-carboxylic acid?
(4Z)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propylidenepiperidine-2-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propylidenepiperidine-2-carboxylic acid is sourced from PubChem (CID 69221867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).