(2S,3R,4R,5R,6R)-5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)-N-methylpiperidine-2-carboxamide

C8H15FN2O4 — CID 118461037

IUPAC(2S,3R,4R,5R,6R)-5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)[C@H]1N[C@H](CO)[C@@H](F)[C@H](O)[C@@H]1O
InChIInChI=1S/C8H15FN2O4/c1-10-8(15)5-7(14)6(13)4(9)3(2-12)11-5/h3-7,11-14H,2H2,1H3,(H,10,15)/t3-,4-,5+,6+,7-/m1/s1
InChIKeyDBTNBOVSLCXYCN-ULQPCXBYSA-N
MW222.22 g/mol
LogP-2.88
Rot. Bonds2

About (2S,3R,4R,5R,6R)-5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)-N-methylpiperidine-2-carboxamide

(2S,3R,4R,5R,6R)-5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)-N-methylpiperidine-2-carboxamide (PubChem CID 118461037) has the molecular formula C8H15FN2O4 and a molecular weight of 222.22 g/mol. Its IUPAC name is (2S,3R,4R,5R,6R)-5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R,4R,5R,6R)-5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)-N-methylpiperidine-2-carboxamide
PubChem CID118461037
Molecular FormulaC8H15FN2O4
Molecular Weight222.22 g/mol
Exact Mass222.10
IUPAC Name(2S,3R,4R,5R,6R)-5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)[C@H]1N[C@H](CO)[C@@H](F)[C@H](O)[C@@H]1O
InChIInChI=1S/C8H15FN2O4/c1-10-8(15)5-7(14)6(13)4(9)3(2-12)11-5/h3-7,11-14H,2H2,1H3,(H,10,15)/t3-,4-,5+,6+,7-/m1/s1
InChIKeyDBTNBOVSLCXYCN-ULQPCXBYSA-N
XLogP-2.88
TPSA101.82 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 5-2.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R,6R)-5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)-N-methylpiperidine-2-carboxamide?
The IUPAC name of (2S,3R,4R,5R,6R)-5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)-N-methylpiperidine-2-carboxamide (CID 118461037) is (2S,3R,4R,5R,6R)-5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for (2S,3R,4R,5R,6R)-5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)-N-methylpiperidine-2-carboxamide?
The canonical SMILES for (2S,3R,4R,5R,6R)-5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)-N-methylpiperidine-2-carboxamide is CNC(=O)[C@H]1N[C@H](CO)[C@@H](F)[C@H](O)[C@@H]1O.
What is the InChIKey of (2S,3R,4R,5R,6R)-5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)-N-methylpiperidine-2-carboxamide?
The InChIKey is DBTNBOVSLCXYCN-ULQPCXBYSA-N. The full InChI is InChI=1S/C8H15FN2O4/c1-10-8(15)5-7(14)6(13)4(9)3(2-12)11-5/h3-7,11-14H,2H2,1H3,(H,10,15)/t3-,4-,5+,6+,7-/m1/s1.
What are the key properties of (2S,3R,4R,5R,6R)-5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)-N-methylpiperidine-2-carboxamide?
(2S,3R,4R,5R,6R)-5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)-N-methylpiperidine-2-carboxamide has a molecular weight of 222.22 g/mol, XLogP of -2.88, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R,6R)-5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 118461037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).