(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-N,6-dimethylpiperidine-2-carboxamide

C8H16N2O4 — CID 10488407

IUPAC(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-N,6-dimethylpiperidine-2-carboxamide
SMILESCNC(=O)[C@H]1N[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C8H16N2O4/c1-3-5(11)7(13)6(12)4(10-3)8(14)9-2/h3-7,10-13H,1-2H3,(H,9,14)/t3-,4-,5-,6-,7+/m0/s1
InChIKeyYSHAHRDDTMDOSP-AZEWMMITSA-N
MW204.23 g/mol
LogP-2.82
Rot. Bonds1

About (2S,3S,4R,5S,6S)-3,4,5-trihydroxy-N,6-dimethylpiperidine-2-carboxamide

(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-N,6-dimethylpiperidine-2-carboxamide (PubChem CID 10488407) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is (2S,3S,4R,5S,6S)-3,4,5-trihydroxy-N,6-dimethylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-N,6-dimethylpiperidine-2-carboxamide
PubChem CID10488407
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Name(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-N,6-dimethylpiperidine-2-carboxamide
SMILESCNC(=O)[C@H]1N[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C8H16N2O4/c1-3-5(11)7(13)6(12)4(10-3)8(14)9-2/h3-7,10-13H,1-2H3,(H,9,14)/t3-,4-,5-,6-,7+/m0/s1
InChIKeyYSHAHRDDTMDOSP-AZEWMMITSA-N
XLogP-2.82
TPSA101.82 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-2.82
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5S,6S)-3,4,5-trihydroxy-N,6-dimethylpiperidine-2-carboxamide?
The IUPAC name of (2S,3S,4R,5S,6S)-3,4,5-trihydroxy-N,6-dimethylpiperidine-2-carboxamide (CID 10488407) is (2S,3S,4R,5S,6S)-3,4,5-trihydroxy-N,6-dimethylpiperidine-2-carboxamide.
What is the SMILES notation for (2S,3S,4R,5S,6S)-3,4,5-trihydroxy-N,6-dimethylpiperidine-2-carboxamide?
The canonical SMILES for (2S,3S,4R,5S,6S)-3,4,5-trihydroxy-N,6-dimethylpiperidine-2-carboxamide is CNC(=O)[C@H]1N[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of (2S,3S,4R,5S,6S)-3,4,5-trihydroxy-N,6-dimethylpiperidine-2-carboxamide?
The InChIKey is YSHAHRDDTMDOSP-AZEWMMITSA-N. The full InChI is InChI=1S/C8H16N2O4/c1-3-5(11)7(13)6(12)4(10-3)8(14)9-2/h3-7,10-13H,1-2H3,(H,9,14)/t3-,4-,5-,6-,7+/m0/s1.
What are the key properties of (2S,3S,4R,5S,6S)-3,4,5-trihydroxy-N,6-dimethylpiperidine-2-carboxamide?
(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-N,6-dimethylpiperidine-2-carboxamide has a molecular weight of 204.23 g/mol, XLogP of -2.82, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5S,6S)-3,4,5-trihydroxy-N,6-dimethylpiperidine-2-carboxamide is sourced from PubChem (CID 10488407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).