4-ethyl-1-[(Z)-2-methylpent-2-enoyl]piperidine-2-carboxylic acid

C14H23NO3 — CID 114427226

IUPAC4-ethyl-1-[(Z)-2-methylpent-2-enoyl]piperidine-2-carboxylic acid
SMILESCC/C=C(/C)C(=O)N1CCC(CC)CC1C(=O)O
InChIInChI=1S/C14H23NO3/c1-4-6-10(3)13(16)15-8-7-11(5-2)9-12(15)14(17)18/h6,11-12H,4-5,7-9H2,1-3H3,(H,17,18)/b10-6-
InChIKeyBWUZTTFLGZOJEL-POHAHGRESA-N
MW253.34 g/mol
LogP2.44
Rot. Bonds4

About 4-ethyl-1-[(Z)-2-methylpent-2-enoyl]piperidine-2-carboxylic acid

4-ethyl-1-[(Z)-2-methylpent-2-enoyl]piperidine-2-carboxylic acid (PubChem CID 114427226) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 4-ethyl-1-[(Z)-2-methylpent-2-enoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-[(Z)-2-methylpent-2-enoyl]piperidine-2-carboxylic acid
PubChem CID114427226
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name4-ethyl-1-[(Z)-2-methylpent-2-enoyl]piperidine-2-carboxylic acid
SMILESCC/C=C(/C)C(=O)N1CCC(CC)CC1C(=O)O
InChIInChI=1S/C14H23NO3/c1-4-6-10(3)13(16)15-8-7-11(5-2)9-12(15)14(17)18/h6,11-12H,4-5,7-9H2,1-3H3,(H,17,18)/b10-6-
InChIKeyBWUZTTFLGZOJEL-POHAHGRESA-N
XLogP2.44
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[(Z)-2-methylpent-2-enoyl]piperidine-2-carboxylic acid?
The IUPAC name of 4-ethyl-1-[(Z)-2-methylpent-2-enoyl]piperidine-2-carboxylic acid (CID 114427226) is 4-ethyl-1-[(Z)-2-methylpent-2-enoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-[(Z)-2-methylpent-2-enoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 4-ethyl-1-[(Z)-2-methylpent-2-enoyl]piperidine-2-carboxylic acid is CC/C=C(/C)C(=O)N1CCC(CC)CC1C(=O)O.
What is the InChIKey of 4-ethyl-1-[(Z)-2-methylpent-2-enoyl]piperidine-2-carboxylic acid?
The InChIKey is BWUZTTFLGZOJEL-POHAHGRESA-N. The full InChI is InChI=1S/C14H23NO3/c1-4-6-10(3)13(16)15-8-7-11(5-2)9-12(15)14(17)18/h6,11-12H,4-5,7-9H2,1-3H3,(H,17,18)/b10-6-.
What are the key properties of 4-ethyl-1-[(Z)-2-methylpent-2-enoyl]piperidine-2-carboxylic acid?
4-ethyl-1-[(Z)-2-methylpent-2-enoyl]piperidine-2-carboxylic acid has a molecular weight of 253.34 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[(Z)-2-methylpent-2-enoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 114427226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).