(2R,6S)-4-methylidenepiperidine-2,6-dicarboxylic acid

C8H11NO4 — CID 15713252

IUPAC(2R,6S)-4-methylidenepiperidine-2,6-dicarboxylic acid
SMILESC=C1C[C@@H](C(=O)O)N[C@@H](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)/t5-,6+
InChIKeyNAEQDMGEMPSESP-OLQVQODUSA-N
MW185.18 g/mol
LogP-0.17
Rot. Bonds2

About (2R,6S)-4-methylidenepiperidine-2,6-dicarboxylic acid

(2R,6S)-4-methylidenepiperidine-2,6-dicarboxylic acid (PubChem CID 15713252) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is (2R,6S)-4-methylidenepiperidine-2,6-dicarboxylic acid.

Molecular Properties

Compound Name(2R,6S)-4-methylidenepiperidine-2,6-dicarboxylic acid
PubChem CID15713252
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Name(2R,6S)-4-methylidenepiperidine-2,6-dicarboxylic acid
SMILESC=C1C[C@@H](C(=O)O)N[C@@H](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)/t5-,6+
InChIKeyNAEQDMGEMPSESP-OLQVQODUSA-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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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-methylidenepiperidine-2,6-dicarboxylic acid?
The IUPAC name of (2R,6S)-4-methylidenepiperidine-2,6-dicarboxylic acid (CID 15713252) is (2R,6S)-4-methylidenepiperidine-2,6-dicarboxylic acid.
What is the SMILES notation for (2R,6S)-4-methylidenepiperidine-2,6-dicarboxylic acid?
The canonical SMILES for (2R,6S)-4-methylidenepiperidine-2,6-dicarboxylic acid is C=C1C[C@@H](C(=O)O)N[C@@H](C(=O)O)C1.
What is the InChIKey of (2R,6S)-4-methylidenepiperidine-2,6-dicarboxylic acid?
The InChIKey is NAEQDMGEMPSESP-OLQVQODUSA-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)/t5-,6+.
What are the key properties of (2R,6S)-4-methylidenepiperidine-2,6-dicarboxylic acid?
(2R,6S)-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 (2R,6S)-4-methylidenepiperidine-2,6-dicarboxylic acid is sourced from PubChem (CID 15713252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).