4-methylidenepiperidine-2,6-dicarboxylic acid

C8H11NO4 — CID 19881331

IUPAC4-methylidenepiperidine-2,6-dicarboxylic acid
SMILESC=C1CC(C(=O)O)NC(C(=O)O)C1
InChIInChI=1S/C8H11NO4/c1-4-2-5(7(10)11)9-6(3-4)8(12)13/h5-6,9H,1-3H2,(H,10,11)(H,12,13)
InChIKeyNAEQDMGEMPSESP-UHFFFAOYSA-N
MW185.18 g/mol
LogP-0.17
Rot. Bonds2

About 4-methylidenepiperidine-2,6-dicarboxylic acid

4-methylidenepiperidine-2,6-dicarboxylic acid (PubChem CID 19881331) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is 4-methylidenepiperidine-2,6-dicarboxylic acid.

Molecular Properties

Compound Name4-methylidenepiperidine-2,6-dicarboxylic acid
PubChem CID19881331
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Name4-methylidenepiperidine-2,6-dicarboxylic acid
SMILESC=C1CC(C(=O)O)NC(C(=O)O)C1
InChIInChI=1S/C8H11NO4/c1-4-2-5(7(10)11)9-6(3-4)8(12)13/h5-6,9H,1-3H2,(H,10,11)(H,12,13)
InChIKeyNAEQDMGEMPSESP-UHFFFAOYSA-N
XLogP-0.17
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6-Piperidinedicarboxylic acid
CID 557515
(2R,6S)-piperidine-2,6-dicarboxylic acid
CID 10942932
Aldosine
CID 57357510
(2S,6S)-piperidine-2,6-dicarboxylic acid
CID 10888395
5-Methylidenepiperidine-2-carboxylic acid
CID 91220064
(+) 2-Difluoromethyl-4-methylene-2,6-piperidine-dicarboxylic acid
CID 15713260
6-(Difluoromethoxycarbonyl)-4-methylidenepiperidine-2-carboxylic acid
CID 21690900
(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
1-Hydroxyoct-7-enoylglycine
CID 131802917
(2R,3S)-3-prop-1-en-2-ylpiperidine-2-carboxylic acid
CID 14334519

Frequently Asked Questions

What is the IUPAC name of 4-methylidenepiperidine-2,6-dicarboxylic acid?
The IUPAC name of 4-methylidenepiperidine-2,6-dicarboxylic acid (CID 19881331) is 4-methylidenepiperidine-2,6-dicarboxylic acid.
What is the SMILES notation for 4-methylidenepiperidine-2,6-dicarboxylic acid?
The canonical SMILES for 4-methylidenepiperidine-2,6-dicarboxylic acid is C=C1CC(C(=O)O)NC(C(=O)O)C1.
What is the InChIKey of 4-methylidenepiperidine-2,6-dicarboxylic acid?
The InChIKey is NAEQDMGEMPSESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4/c1-4-2-5(7(10)11)9-6(3-4)8(12)13/h5-6,9H,1-3H2,(H,10,11)(H,12,13).
What are the key properties of 4-methylidenepiperidine-2,6-dicarboxylic acid?
4-methylidenepiperidine-2,6-dicarboxylic acid has a molecular weight of 185.18 g/mol, XLogP of -0.17, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidenepiperidine-2,6-dicarboxylic acid is sourced from PubChem (CID 19881331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).