(2R,3R)-2,3-dihydroxybutanedioic acid;2-piperidin-2-ylpiperidine

C14H26N2O6 — CID 70262057

IUPAC(2R,3R)-2,3-dihydroxybutanedioic acid;2-piperidin-2-ylpiperidine
SMILESC1CCC(C2CCCCN2)NC1.O=C(O)[C@H](O)[C@@H](O)C(=O)O
InChIInChI=1S/C10H20N2.C4H6O6/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;5-1(3(7)8)2(6)4(9)10/h9-12H,1-8H2;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
InChIKeyNHMSJUHYMQOVBO-LREBCSMRSA-N
MW318.37 g/mol
LogP-0.85
Rot. Bonds4

About (2R,3R)-2,3-dihydroxybutanedioic acid;2-piperidin-2-ylpiperidine

(2R,3R)-2,3-dihydroxybutanedioic acid;2-piperidin-2-ylpiperidine (PubChem CID 70262057) has the molecular formula C14H26N2O6 and a molecular weight of 318.37 g/mol. Its IUPAC name is (2R,3R)-2,3-dihydroxybutanedioic acid;2-piperidin-2-ylpiperidine.

Molecular Properties

Compound Name(2R,3R)-2,3-dihydroxybutanedioic acid;2-piperidin-2-ylpiperidine
PubChem CID70262057
Molecular FormulaC14H26N2O6
Molecular Weight318.37 g/mol
Exact Mass318.18
IUPAC Name(2R,3R)-2,3-dihydroxybutanedioic acid;2-piperidin-2-ylpiperidine
SMILESC1CCC(C2CCCCN2)NC1.O=C(O)[C@H](O)[C@@H](O)C(=O)O
InChIInChI=1S/C10H20N2.C4H6O6/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;5-1(3(7)8)2(6)4(9)10/h9-12H,1-8H2;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
InChIKeyNHMSJUHYMQOVBO-LREBCSMRSA-N
XLogP-0.85
TPSA139.12 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.37
LogP ≤ 5-0.85
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

2,3-dihydroxybutanedioic acid;(2R)-2-methylpiperidine
CID 21041485
2-pyrrolidin-2-ylpiperidine
CID 14810994
(4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline
CID 15650611
(2R,3R)-2,3-dihydroxybutanedioic acid;piperazine
CID 76972105
1,2,3,4,5,5a,6,7,8,8a-decahydrocyclopenta[b][1,4]diazepine
CID 66851093
(2S)-2-amino-2-[(2R)-piperidin-2-yl]acetic acid
CID 15869910
(1R,11R,16R,26R)-2,6,10,17,21,25-hexazatricyclo[24.4.0.011,16]triacontane
CID 12014113
(5aR,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-benzo[b]azepine
CID 92720077
(2R)-piperidine-2-carboxylic acid
CID 10725378
2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-b]pyridine
CID 58044710
(2R)-2-methyl-3-[(2S)-piperidin-2-yl]propanoic acid
CID 124547717
2-cyclodecylazecane
CID 126739440

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-dihydroxybutanedioic acid;2-piperidin-2-ylpiperidine?
The IUPAC name of (2R,3R)-2,3-dihydroxybutanedioic acid;2-piperidin-2-ylpiperidine (CID 70262057) is (2R,3R)-2,3-dihydroxybutanedioic acid;2-piperidin-2-ylpiperidine.
What is the SMILES notation for (2R,3R)-2,3-dihydroxybutanedioic acid;2-piperidin-2-ylpiperidine?
The canonical SMILES for (2R,3R)-2,3-dihydroxybutanedioic acid;2-piperidin-2-ylpiperidine is C1CCC(C2CCCCN2)NC1.O=C(O)[C@H](O)[C@@H](O)C(=O)O.
What is the InChIKey of (2R,3R)-2,3-dihydroxybutanedioic acid;2-piperidin-2-ylpiperidine?
The InChIKey is NHMSJUHYMQOVBO-LREBCSMRSA-N. The full InChI is InChI=1S/C10H20N2.C4H6O6/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;5-1(3(7)8)2(6)4(9)10/h9-12H,1-8H2;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1.
What are the key properties of (2R,3R)-2,3-dihydroxybutanedioic acid;2-piperidin-2-ylpiperidine?
(2R,3R)-2,3-dihydroxybutanedioic acid;2-piperidin-2-ylpiperidine has a molecular weight of 318.37 g/mol, XLogP of -0.85, 4 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-dihydroxybutanedioic acid;2-piperidin-2-ylpiperidine is sourced from PubChem (CID 70262057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).