3-(1-prop-2-enoylpiperidin-4-yl)propanoic acid

C11H17NO3 — CID 62217305

IUPAC3-(1-prop-2-enoylpiperidin-4-yl)propanoic acid
SMILESC=CC(=O)N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C11H17NO3/c1-2-10(13)12-7-5-9(6-8-12)3-4-11(14)15/h2,9H,1,3-8H2,(H,14,15)
InChIKeyORJDTMQBRRAQIR-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.28
Rot. Bonds4

About 3-(1-prop-2-enoylpiperidin-4-yl)propanoic acid

3-(1-prop-2-enoylpiperidin-4-yl)propanoic acid (PubChem CID 62217305) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-(1-prop-2-enoylpiperidin-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(1-prop-2-enoylpiperidin-4-yl)propanoic acid
PubChem CID62217305
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name3-(1-prop-2-enoylpiperidin-4-yl)propanoic acid
SMILESC=CC(=O)N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C11H17NO3/c1-2-10(13)12-7-5-9(6-8-12)3-4-11(14)15/h2,9H,1,3-8H2,(H,14,15)
InChIKeyORJDTMQBRRAQIR-UHFFFAOYSA-N
XLogP1.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.28
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-prop-2-enoylpiperidin-4-yl)propanoic acid?
The IUPAC name of 3-(1-prop-2-enoylpiperidin-4-yl)propanoic acid (CID 62217305) is 3-(1-prop-2-enoylpiperidin-4-yl)propanoic acid.
What is the SMILES notation for 3-(1-prop-2-enoylpiperidin-4-yl)propanoic acid?
The canonical SMILES for 3-(1-prop-2-enoylpiperidin-4-yl)propanoic acid is C=CC(=O)N1CCC(CCC(=O)O)CC1.
What is the InChIKey of 3-(1-prop-2-enoylpiperidin-4-yl)propanoic acid?
The InChIKey is ORJDTMQBRRAQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-2-10(13)12-7-5-9(6-8-12)3-4-11(14)15/h2,9H,1,3-8H2,(H,14,15).
What are the key properties of 3-(1-prop-2-enoylpiperidin-4-yl)propanoic acid?
3-(1-prop-2-enoylpiperidin-4-yl)propanoic acid has a molecular weight of 211.26 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-prop-2-enoylpiperidin-4-yl)propanoic acid is sourced from PubChem (CID 62217305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).