(2R,3R)-2,3-dihydroxybutanedioic acid;(3S,6R)-1,6-dimethylpiperidine-3-carboxylic acid

C12H21NO8 — CID 66990949

IUPAC(2R,3R)-2,3-dihydroxybutanedioic acid;(3S,6R)-1,6-dimethylpiperidine-3-carboxylic acid
SMILESC[C@@H]1CC[C@H](C(=O)O)CN1C.O=C(O)[C@H](O)[C@@H](O)C(=O)O
InChIInChI=1S/C8H15NO2.C4H6O6/c1-6-3-4-7(8(10)11)5-9(6)2;5-1(3(7)8)2(6)4(9)10/h6-7H,3-5H2,1-2H3,(H,10,11);1-2,5-6H,(H,7,8)(H,9,10)/t6-,7+;1-,2-/m11/s1
InChIKeyMHOUWRXVDRKELH-SIDHLQFJSA-N
MW307.30 g/mol
LogP-1.32
Rot. Bonds4

About (2R,3R)-2,3-dihydroxybutanedioic acid;(3S,6R)-1,6-dimethylpiperidine-3-carboxylic acid

(2R,3R)-2,3-dihydroxybutanedioic acid;(3S,6R)-1,6-dimethylpiperidine-3-carboxylic acid (PubChem CID 66990949) has the molecular formula C12H21NO8 and a molecular weight of 307.30 g/mol. Its IUPAC name is (2R,3R)-2,3-dihydroxybutanedioic acid;(3S,6R)-1,6-dimethylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-2,3-dihydroxybutanedioic acid;(3S,6R)-1,6-dimethylpiperidine-3-carboxylic acid
PubChem CID66990949
Molecular FormulaC12H21NO8
Molecular Weight307.30 g/mol
Exact Mass307.13
IUPAC Name(2R,3R)-2,3-dihydroxybutanedioic acid;(3S,6R)-1,6-dimethylpiperidine-3-carboxylic acid
SMILESC[C@@H]1CC[C@H](C(=O)O)CN1C.O=C(O)[C@H](O)[C@@H](O)C(=O)O
InChIInChI=1S/C8H15NO2.C4H6O6/c1-6-3-4-7(8(10)11)5-9(6)2;5-1(3(7)8)2(6)4(9)10/h6-7H,3-5H2,1-2H3,(H,10,11);1-2,5-6H,(H,7,8)(H,9,10)/t6-,7+;1-,2-/m11/s1
InChIKeyMHOUWRXVDRKELH-SIDHLQFJSA-N
XLogP-1.32
TPSA155.60 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 5-1.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-dihydroxybutanedioic acid;(3S,6R)-1,6-dimethylpiperidine-3-carboxylic acid?
The IUPAC name of (2R,3R)-2,3-dihydroxybutanedioic acid;(3S,6R)-1,6-dimethylpiperidine-3-carboxylic acid (CID 66990949) is (2R,3R)-2,3-dihydroxybutanedioic acid;(3S,6R)-1,6-dimethylpiperidine-3-carboxylic acid.
What is the SMILES notation for (2R,3R)-2,3-dihydroxybutanedioic acid;(3S,6R)-1,6-dimethylpiperidine-3-carboxylic acid?
The canonical SMILES for (2R,3R)-2,3-dihydroxybutanedioic acid;(3S,6R)-1,6-dimethylpiperidine-3-carboxylic acid is C[C@@H]1CC[C@H](C(=O)O)CN1C.O=C(O)[C@H](O)[C@@H](O)C(=O)O.
What is the InChIKey of (2R,3R)-2,3-dihydroxybutanedioic acid;(3S,6R)-1,6-dimethylpiperidine-3-carboxylic acid?
The InChIKey is MHOUWRXVDRKELH-SIDHLQFJSA-N. The full InChI is InChI=1S/C8H15NO2.C4H6O6/c1-6-3-4-7(8(10)11)5-9(6)2;5-1(3(7)8)2(6)4(9)10/h6-7H,3-5H2,1-2H3,(H,10,11);1-2,5-6H,(H,7,8)(H,9,10)/t6-,7+;1-,2-/m11/s1.
What are the key properties of (2R,3R)-2,3-dihydroxybutanedioic acid;(3S,6R)-1,6-dimethylpiperidine-3-carboxylic acid?
(2R,3R)-2,3-dihydroxybutanedioic acid;(3S,6R)-1,6-dimethylpiperidine-3-carboxylic acid has a molecular weight of 307.30 g/mol, XLogP of -1.32, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-dihydroxybutanedioic acid;(3S,6R)-1,6-dimethylpiperidine-3-carboxylic acid is sourced from PubChem (CID 66990949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).