4-prop-2-enylpiperidine-2-carboxylic acid

C9H15NO2 — CID 70583739

IUPAC4-prop-2-enylpiperidine-2-carboxylic acid
SMILESC=CCC1CCNC(C(=O)O)C1
InChIInChI=1S/C9H15NO2/c1-2-3-7-4-5-10-8(6-7)9(11)12/h2,7-8,10H,1,3-6H2,(H,11,12)
InChIKeyUCEJEVOVQPJSCY-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.02
Rot. Bonds3

About 4-prop-2-enylpiperidine-2-carboxylic acid

4-prop-2-enylpiperidine-2-carboxylic acid (PubChem CID 70583739) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 4-prop-2-enylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-prop-2-enylpiperidine-2-carboxylic acid
PubChem CID70583739
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name4-prop-2-enylpiperidine-2-carboxylic acid
SMILESC=CCC1CCNC(C(=O)O)C1
InChIInChI=1S/C9H15NO2/c1-2-3-7-4-5-10-8(6-7)9(11)12/h2,7-8,10H,1,3-6H2,(H,11,12)
InChIKeyUCEJEVOVQPJSCY-UHFFFAOYSA-N
XLogP1.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,4S)-4-prop-2-enylpyrrolidine-2-carboxylic acid
CID 69415459
(2S,4R)-4-(sulfanylmethyl)piperidine-2-carboxylic acid
CID 137455013
4-(2-cyclopropylethyl)piperidine-2-carboxylic acid
CID 18446255
(2R,4S)-4-[(E)-3-phosphonoprop-2-enyl]piperidine-2-carboxylic acid
CID 14541469
(2R,4S)-4-(2-methylpropyl)piperidine-2-carboxylic acid
CID 139957952
(2S)-4-(phosphonomethyl)piperidine-2-carboxylic acid
CID 135373119
4-(3-methylbutyl)piperidine-2-carboxylic acid
CID 82397672
(2S,4R)-4-(3-phosphonopropyl)piperidine-2-carboxylic acid
CID 21126371
5-(cyclopropylmethyl)azepane-2-carboxylic acid
CID 18446400
carbonic acid;prop-2-enylcyclopropane
CID 67833665
azetidine-2-carboxylic acid;hydrochloride
CID 45358168
(2R,4aR)-6-prop-2-enyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxylic acid
CID 70542353

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enylpiperidine-2-carboxylic acid?
The IUPAC name of 4-prop-2-enylpiperidine-2-carboxylic acid (CID 70583739) is 4-prop-2-enylpiperidine-2-carboxylic acid.
What is the SMILES notation for 4-prop-2-enylpiperidine-2-carboxylic acid?
The canonical SMILES for 4-prop-2-enylpiperidine-2-carboxylic acid is C=CCC1CCNC(C(=O)O)C1.
What is the InChIKey of 4-prop-2-enylpiperidine-2-carboxylic acid?
The InChIKey is UCEJEVOVQPJSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-2-3-7-4-5-10-8(6-7)9(11)12/h2,7-8,10H,1,3-6H2,(H,11,12).
What are the key properties of 4-prop-2-enylpiperidine-2-carboxylic acid?
4-prop-2-enylpiperidine-2-carboxylic acid has a molecular weight of 169.22 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enylpiperidine-2-carboxylic acid is sourced from PubChem (CID 70583739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).