3-[1-[(Z)-2-methylpent-2-enoyl]piperidin-4-yl]propanoic acid

C14H23NO3 — CID 55049222

IUPAC3-[1-[(Z)-2-methylpent-2-enoyl]piperidin-4-yl]propanoic acid
SMILESCC/C=C(/C)C(=O)N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C14H23NO3/c1-3-4-11(2)14(18)15-9-7-12(8-10-15)5-6-13(16)17/h4,12H,3,5-10H2,1-2H3,(H,16,17)/b11-4-
InChIKeyYAUHGNFYWKEQSJ-WCIBSUBMSA-N
MW253.34 g/mol
LogP2.45
Rot. Bonds5

About 3-[1-[(Z)-2-methylpent-2-enoyl]piperidin-4-yl]propanoic acid

3-[1-[(Z)-2-methylpent-2-enoyl]piperidin-4-yl]propanoic acid (PubChem CID 55049222) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 3-[1-[(Z)-2-methylpent-2-enoyl]piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[(Z)-2-methylpent-2-enoyl]piperidin-4-yl]propanoic acid
PubChem CID55049222
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name3-[1-[(Z)-2-methylpent-2-enoyl]piperidin-4-yl]propanoic acid
SMILESCC/C=C(/C)C(=O)N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C14H23NO3/c1-3-4-11(2)14(18)15-9-7-12(8-10-15)5-6-13(16)17/h4,12H,3,5-10H2,1-2H3,(H,16,17)/b11-4-
InChIKeyYAUHGNFYWKEQSJ-WCIBSUBMSA-N
XLogP2.45
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.45
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 3-[1-[(Z)-2-methylpent-2-enoyl]piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-[(Z)-2-methylpent-2-enoyl]piperidin-4-yl]propanoic acid (CID 55049222) is 3-[1-[(Z)-2-methylpent-2-enoyl]piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-[(Z)-2-methylpent-2-enoyl]piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-[(Z)-2-methylpent-2-enoyl]piperidin-4-yl]propanoic acid is CC/C=C(/C)C(=O)N1CCC(CCC(=O)O)CC1.
What is the InChIKey of 3-[1-[(Z)-2-methylpent-2-enoyl]piperidin-4-yl]propanoic acid?
The InChIKey is YAUHGNFYWKEQSJ-WCIBSUBMSA-N. The full InChI is InChI=1S/C14H23NO3/c1-3-4-11(2)14(18)15-9-7-12(8-10-15)5-6-13(16)17/h4,12H,3,5-10H2,1-2H3,(H,16,17)/b11-4-.
What are the key properties of 3-[1-[(Z)-2-methylpent-2-enoyl]piperidin-4-yl]propanoic acid?
3-[1-[(Z)-2-methylpent-2-enoyl]piperidin-4-yl]propanoic acid has a molecular weight of 253.34 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(Z)-2-methylpent-2-enoyl]piperidin-4-yl]propanoic acid is sourced from PubChem (CID 55049222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).