1-[(2-methylpropan-2-yl)oxycarbonyl]-4-prop-2-enylpiperidine-3-carboxylic acid

C14H23NO4 — CID 22597959

IUPAC1-[(2-methylpropan-2-yl)oxycarbonyl]-4-prop-2-enylpiperidine-3-carboxylic acid
SMILESC=CCC1CCN(C(=O)OC(C)(C)C)CC1C(=O)O
InChIInChI=1S/C14H23NO4/c1-5-6-10-7-8-15(9-11(10)12(16)17)13(18)19-14(2,3)4/h5,10-11H,1,6-9H2,2-4H3,(H,16,17)
InChIKeyPWPIFAPZWLWEDT-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.52
Rot. Bonds3

About 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-prop-2-enylpiperidine-3-carboxylic acid

1-[(2-methylpropan-2-yl)oxycarbonyl]-4-prop-2-enylpiperidine-3-carboxylic acid (PubChem CID 22597959) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-prop-2-enylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxycarbonyl]-4-prop-2-enylpiperidine-3-carboxylic acid
PubChem CID22597959
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name1-[(2-methylpropan-2-yl)oxycarbonyl]-4-prop-2-enylpiperidine-3-carboxylic acid
SMILESC=CCC1CCN(C(=O)OC(C)(C)C)CC1C(=O)O
InChIInChI=1S/C14H23NO4/c1-5-6-10-7-8-15(9-11(10)12(16)17)13(18)19-14(2,3)4/h5,10-11H,1,6-9H2,2-4H3,(H,16,17)
InChIKeyPWPIFAPZWLWEDT-UHFFFAOYSA-N
XLogP2.52
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.52
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 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-prop-2-enylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-prop-2-enylpiperidine-3-carboxylic acid (CID 22597959) is 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-prop-2-enylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-prop-2-enylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-prop-2-enylpiperidine-3-carboxylic acid is C=CCC1CCN(C(=O)OC(C)(C)C)CC1C(=O)O.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-prop-2-enylpiperidine-3-carboxylic acid?
The InChIKey is PWPIFAPZWLWEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-5-6-10-7-8-15(9-11(10)12(16)17)13(18)19-14(2,3)4/h5,10-11H,1,6-9H2,2-4H3,(H,16,17).
What are the key properties of 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-prop-2-enylpiperidine-3-carboxylic acid?
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-prop-2-enylpiperidine-3-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-prop-2-enylpiperidine-3-carboxylic acid is sourced from PubChem (CID 22597959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).