methyl 3,4,5-trihydroxy-6-oxopiperidine-2-carboxylate

C7H11NO6 — CID 130020032

IUPACmethyl 3,4,5-trihydroxy-6-oxopiperidine-2-carboxylate
SMILESCOC(=O)C1NC(=O)C(O)C(O)C1O
InChIInChI=1S/C7H11NO6/c1-14-7(13)2-3(9)4(10)5(11)6(12)8-2/h2-5,9-11H,1H3,(H,8,12)
InChIKeyVJBUYQRMKMBQPC-UHFFFAOYSA-N
MW205.17 g/mol
LogP-3.26
Rot. Bonds1

About methyl 3,4,5-trihydroxy-6-oxopiperidine-2-carboxylate

methyl 3,4,5-trihydroxy-6-oxopiperidine-2-carboxylate (PubChem CID 130020032) has the molecular formula C7H11NO6 and a molecular weight of 205.17 g/mol. Its IUPAC name is methyl 3,4,5-trihydroxy-6-oxopiperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3,4,5-trihydroxy-6-oxopiperidine-2-carboxylate
PubChem CID130020032
Molecular FormulaC7H11NO6
Molecular Weight205.17 g/mol
Exact Mass205.06
IUPAC Namemethyl 3,4,5-trihydroxy-6-oxopiperidine-2-carboxylate
SMILESCOC(=O)C1NC(=O)C(O)C(O)C1O
InChIInChI=1S/C7H11NO6/c1-14-7(13)2-3(9)4(10)5(11)6(12)8-2/h2-5,9-11H,1H3,(H,8,12)
InChIKeyVJBUYQRMKMBQPC-UHFFFAOYSA-N
XLogP-3.26
TPSA116.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 5-3.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (2S,3S,4R)-3,4-dihydroxypiperidine-2-carboxylate
CID 178197389
methyl 5-hydroxy-2-oxocyclohexane-1-carboxylate
CID 71336959
methyl (2S)-3-methyl-4-oxopyrrolidine-2-carboxylate;sulfane
CID 158781843
methyl (3R)-3-hydroxypyrrolidine-2-carboxylate
CID 54509998
methyl (2R,3S)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidine-2-carboxylate
CID 13073908
methyl 5-methyl-2,4-dioxopyrrolidine-3-carboxylate
CID 126971567
3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-one
CID 5018466
methyl 4-oxo-3-[(1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonyl)amino]azetidine-2-carboxylate
CID 23470128
methyl (1S,3R,3aS,6aR)-6-oxo-1-phenyl-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylate
CID 11414259
methyl 2,6-dioxo-1,3-diazinane-4-carboxylate
CID 574666
methyl (2R,3S)-3-hydroxypiperidine-2-carboxylate;hydrochloride
CID 155973336
methyl (4S,5S)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate
CID 121224065

Frequently Asked Questions

What is the IUPAC name of methyl 3,4,5-trihydroxy-6-oxopiperidine-2-carboxylate?
The IUPAC name of methyl 3,4,5-trihydroxy-6-oxopiperidine-2-carboxylate (CID 130020032) is methyl 3,4,5-trihydroxy-6-oxopiperidine-2-carboxylate.
What is the SMILES notation for methyl 3,4,5-trihydroxy-6-oxopiperidine-2-carboxylate?
The canonical SMILES for methyl 3,4,5-trihydroxy-6-oxopiperidine-2-carboxylate is COC(=O)C1NC(=O)C(O)C(O)C1O.
What is the InChIKey of methyl 3,4,5-trihydroxy-6-oxopiperidine-2-carboxylate?
The InChIKey is VJBUYQRMKMBQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO6/c1-14-7(13)2-3(9)4(10)5(11)6(12)8-2/h2-5,9-11H,1H3,(H,8,12).
What are the key properties of methyl 3,4,5-trihydroxy-6-oxopiperidine-2-carboxylate?
methyl 3,4,5-trihydroxy-6-oxopiperidine-2-carboxylate has a molecular weight of 205.17 g/mol, XLogP of -3.26, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,4,5-trihydroxy-6-oxopiperidine-2-carboxylate is sourced from PubChem (CID 130020032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).