2,3-dihydroxybutanedioic acid;(2R)-2-methylpiperidine

C10H19NO6 — CID 21041485

IUPAC2,3-dihydroxybutanedioic acid;(2R)-2-methylpiperidine
SMILESC[C@@H]1CCCCN1.O=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/C6H13N.C4H6O6/c1-6-4-2-3-5-7-6;5-1(3(7)8)2(6)4(9)10/h6-7H,2-5H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t6-;/m1./s1
InChIKeyLMABJXMUDFOITG-FYZOBXCZSA-N
MW249.26 g/mol
LogP-0.97
Rot. Bonds3

About 2,3-dihydroxybutanedioic acid;(2R)-2-methylpiperidine

2,3-dihydroxybutanedioic acid;(2R)-2-methylpiperidine (PubChem CID 21041485) has the molecular formula C10H19NO6 and a molecular weight of 249.26 g/mol. Its IUPAC name is 2,3-dihydroxybutanedioic acid;(2R)-2-methylpiperidine.

Molecular Properties

Compound Name2,3-dihydroxybutanedioic acid;(2R)-2-methylpiperidine
PubChem CID21041485
Molecular FormulaC10H19NO6
Molecular Weight249.26 g/mol
Exact Mass249.12
IUPAC Name2,3-dihydroxybutanedioic acid;(2R)-2-methylpiperidine
SMILESC[C@@H]1CCCCN1.O=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/C6H13N.C4H6O6/c1-6-4-2-3-5-7-6;5-1(3(7)8)2(6)4(9)10/h6-7H,2-5H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t6-;/m1./s1
InChIKeyLMABJXMUDFOITG-FYZOBXCZSA-N
XLogP-0.97
TPSA127.09 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 5-0.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 2,3-dihydroxybutanedioic acid;(2R)-2-methylpiperidine 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

(2R,3R)-2,3-dihydroxybutanedioic acid;2-piperidin-2-ylpiperidine
CID 70262057
2-methylpiperidine
CID 7974
methane;2-methylpiperidine
CID 159247179
(2S)-2-methylazocane
CID 137404038
(2S)-2-methylpiperidine;(2S)-2-methylpyrrolidine
CID 164977059
(2R)-2-methylazonane
CID 89251055
(2S,3S)-2,3-dihydroxybutanedioic acid;(2S)-2-methylpiperazine
CID 2769566
2-methylpyrrolidine
CID 13003
2-methylpyrrolidine
CID 142041388
formic acid;(2R)-2-methylpyrrolidine
CID 143602308
(2R)-2-methyl-3-[(2S)-piperidin-2-yl]propanoic acid
CID 124547717
ethane;methyl formate;(2S)-2-methylpiperidine
CID 162751563

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxybutanedioic acid;(2R)-2-methylpiperidine?
The IUPAC name of 2,3-dihydroxybutanedioic acid;(2R)-2-methylpiperidine (CID 21041485) is 2,3-dihydroxybutanedioic acid;(2R)-2-methylpiperidine.
What is the SMILES notation for 2,3-dihydroxybutanedioic acid;(2R)-2-methylpiperidine?
The canonical SMILES for 2,3-dihydroxybutanedioic acid;(2R)-2-methylpiperidine is C[C@@H]1CCCCN1.O=C(O)C(O)C(O)C(=O)O.
What is the InChIKey of 2,3-dihydroxybutanedioic acid;(2R)-2-methylpiperidine?
The InChIKey is LMABJXMUDFOITG-FYZOBXCZSA-N. The full InChI is InChI=1S/C6H13N.C4H6O6/c1-6-4-2-3-5-7-6;5-1(3(7)8)2(6)4(9)10/h6-7H,2-5H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t6-;/m1./s1.
What are the key properties of 2,3-dihydroxybutanedioic acid;(2R)-2-methylpiperidine?
2,3-dihydroxybutanedioic acid;(2R)-2-methylpiperidine has a molecular weight of 249.26 g/mol, XLogP of -0.97, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxybutanedioic acid;(2R)-2-methylpiperidine is sourced from PubChem (CID 21041485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).