5-methylidenepiperidine-2-carboxylic acid

C7H11NO2 — CID 91220064

IUPAC5-methylidenepiperidine-2-carboxylic acid
SMILESC=C1CCC(C(=O)O)NC1
InChIInChI=1S/C7H11NO2/c1-5-2-3-6(7(9)10)8-4-5/h6,8H,1-4H2,(H,9,10)
InChIKeyYTWHJAMJHWCVQS-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.38
Rot. Bonds1

About 5-methylidenepiperidine-2-carboxylic acid

5-methylidenepiperidine-2-carboxylic acid (PubChem CID 91220064) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 5-methylidenepiperidine-2-carboxylic acid.

Molecular Properties

Compound Name5-methylidenepiperidine-2-carboxylic acid
PubChem CID91220064
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name5-methylidenepiperidine-2-carboxylic acid
SMILESC=C1CCC(C(=O)O)NC1
InChIInChI=1S/C7H11NO2/c1-5-2-3-6(7(9)10)8-4-5/h6,8H,1-4H2,(H,9,10)
InChIKeyYTWHJAMJHWCVQS-UHFFFAOYSA-N
XLogP0.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-methylidenepiperidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Aldosine
CID 57357510
(2S)-4-methylidenepiperidine-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 69558180
(2S)-3-methylidenepiperidine-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 69849332
3-Vinylpipecolic acid
CID 129710212
(2R,3S)-3-prop-1-en-2-ylpiperidine-2-carboxylic acid
CID 14334519
(2R,6R)-4-methylidenepiperidine-2,6-dicarboxylic acid
CID 15713251
4-Methylidenepiperidine-2,6-dicarboxylic acid
CID 19881331
3-(Oxomethylidene)piperidine-2-carboxylic acid
CID 53644786
4-(Phosphonomethylidene)piperidine-2-carboxylic acid
CID 53915266
(4Z)-4-(phosphonomethylidene)piperidine-2-carboxylic acid
CID 67838633
4-Methylidenepiperidine-2,6-dicarboxylic acid;hydrochloride
CID 67906856
1,2,3,4,6,7-Hexahydroisoquinoline-1-carboxylic acid
CID 69150140

Frequently Asked Questions

What is the IUPAC name of 5-methylidenepiperidine-2-carboxylic acid?
The IUPAC name of 5-methylidenepiperidine-2-carboxylic acid (CID 91220064) is 5-methylidenepiperidine-2-carboxylic acid.
What is the SMILES notation for 5-methylidenepiperidine-2-carboxylic acid?
The canonical SMILES for 5-methylidenepiperidine-2-carboxylic acid is C=C1CCC(C(=O)O)NC1.
What is the InChIKey of 5-methylidenepiperidine-2-carboxylic acid?
The InChIKey is YTWHJAMJHWCVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-5-2-3-6(7(9)10)8-4-5/h6,8H,1-4H2,(H,9,10).
What are the key properties of 5-methylidenepiperidine-2-carboxylic acid?
5-methylidenepiperidine-2-carboxylic acid has a molecular weight of 141.17 g/mol, XLogP of 0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidenepiperidine-2-carboxylic acid is sourced from PubChem (CID 91220064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).