(2R,4R)-4-methylpiperidine-1,2-dicarboxylic acid

C8H13NO4 — CID 22856189

IUPAC(2R,4R)-4-methylpiperidine-1,2-dicarboxylic acid
SMILESC[C@@H]1CCN(C(=O)O)[C@@H](C(=O)O)C1
InChIInChI=1S/C8H13NO4/c1-5-2-3-9(8(12)13)6(4-5)7(10)11/h5-6H,2-4H2,1H3,(H,10,11)(H,12,13)/t5-,6-/m1/s1
InChIKeyVEKFHIUTPNEBCF-PHDIDXHHSA-N
MW187.19 g/mol
LogP0.85
Rot. Bonds1

About (2R,4R)-4-methylpiperidine-1,2-dicarboxylic acid

(2R,4R)-4-methylpiperidine-1,2-dicarboxylic acid (PubChem CID 22856189) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is (2R,4R)-4-methylpiperidine-1,2-dicarboxylic acid.

Molecular Properties

Compound Name(2R,4R)-4-methylpiperidine-1,2-dicarboxylic acid
PubChem CID22856189
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name(2R,4R)-4-methylpiperidine-1,2-dicarboxylic acid
SMILESC[C@@H]1CCN(C(=O)O)[C@@H](C(=O)O)C1
InChIInChI=1S/C8H13NO4/c1-5-2-3-9(8(12)13)6(4-5)7(10)11/h5-6H,2-4H2,1H3,(H,10,11)(H,12,13)/t5-,6-/m1/s1
InChIKeyVEKFHIUTPNEBCF-PHDIDXHHSA-N
XLogP0.85
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-methylpiperidine-1,2-dicarboxylic acid?
The IUPAC name of (2R,4R)-4-methylpiperidine-1,2-dicarboxylic acid (CID 22856189) is (2R,4R)-4-methylpiperidine-1,2-dicarboxylic acid.
What is the SMILES notation for (2R,4R)-4-methylpiperidine-1,2-dicarboxylic acid?
The canonical SMILES for (2R,4R)-4-methylpiperidine-1,2-dicarboxylic acid is C[C@@H]1CCN(C(=O)O)[C@@H](C(=O)O)C1.
What is the InChIKey of (2R,4R)-4-methylpiperidine-1,2-dicarboxylic acid?
The InChIKey is VEKFHIUTPNEBCF-PHDIDXHHSA-N. The full InChI is InChI=1S/C8H13NO4/c1-5-2-3-9(8(12)13)6(4-5)7(10)11/h5-6H,2-4H2,1H3,(H,10,11)(H,12,13)/t5-,6-/m1/s1.
What are the key properties of (2R,4R)-4-methylpiperidine-1,2-dicarboxylic acid?
(2R,4R)-4-methylpiperidine-1,2-dicarboxylic acid has a molecular weight of 187.19 g/mol, XLogP of 0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-methylpiperidine-1,2-dicarboxylic acid is sourced from PubChem (CID 22856189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).