2-piperidin-3-ylprop-2-enoic acid

C8H13NO2 — CID 117266899

IUPAC2-piperidin-3-ylprop-2-enoic acid
SMILESC=C(C(=O)O)C1CCCNC1
InChIInChI=1S/C8H13NO2/c1-6(8(10)11)7-3-2-4-9-5-7/h7,9H,1-5H2,(H,10,11)
InChIKeyUCZFWVXKTDCJLQ-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.63
Rot. Bonds2

About 2-piperidin-3-ylprop-2-enoic acid

2-piperidin-3-ylprop-2-enoic acid (PubChem CID 117266899) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-piperidin-3-ylprop-2-enoic acid.

Molecular Properties

Compound Name2-piperidin-3-ylprop-2-enoic acid
PubChem CID117266899
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name2-piperidin-3-ylprop-2-enoic acid
SMILESC=C(C(=O)O)C1CCCNC1
InChIInChI=1S/C8H13NO2/c1-6(8(10)11)7-3-2-4-9-5-7/h7,9H,1-5H2,(H,10,11)
InChIKeyUCZFWVXKTDCJLQ-UHFFFAOYSA-N
XLogP0.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

di(piperidin-3-yl)methanone
CID 69183047
2-piperidin-4-ylprop-2-enoic acid
CID 67374343
ethene;piperidine-3-carboxamide
CID 91354072
cyclobutyl-[(3R)-piperidin-3-yl]methanone
CID 124604189
(3S)-N,N-dimethylpiperidine-3-carboxamide
CID 11469201
4-methyl-1-piperidin-3-ylpent-4-en-1-one
CID 114477848
2-(piperidin-3-ylmethyl)prop-2-enoic acid
CID 117266961
N-(2-methylprop-2-enoyl)piperidine-3-carboxamide
CID 176884456
oxalic acid;piperidin-3-ol
CID 162306197
ethane;(3R)-N-methylpiperidine-3-carboxamide
CID 145422305
(1Z)-1-piperidin-3-ylbuta-1,3-diene-1,3-diamine
CID 144740220
azepan-1-yl-[(3S)-piperidin-3-yl]methanone
CID 7169846

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-3-ylprop-2-enoic acid?
The IUPAC name of 2-piperidin-3-ylprop-2-enoic acid (CID 117266899) is 2-piperidin-3-ylprop-2-enoic acid.
What is the SMILES notation for 2-piperidin-3-ylprop-2-enoic acid?
The canonical SMILES for 2-piperidin-3-ylprop-2-enoic acid is C=C(C(=O)O)C1CCCNC1.
What is the InChIKey of 2-piperidin-3-ylprop-2-enoic acid?
The InChIKey is UCZFWVXKTDCJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-6(8(10)11)7-3-2-4-9-5-7/h7,9H,1-5H2,(H,10,11).
What are the key properties of 2-piperidin-3-ylprop-2-enoic acid?
2-piperidin-3-ylprop-2-enoic acid has a molecular weight of 155.20 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-3-ylprop-2-enoic acid is sourced from PubChem (CID 117266899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).