(2R,3R,5R)-2,3,4,5-tetrahydroxy-N-methylcyclohexane-1-carboxamide

C8H15NO5 — CID 91283477

IUPAC(2R,3R,5R)-2,3,4,5-tetrahydroxy-N-methylcyclohexane-1-carboxamide
SMILESCNC(=O)C1C[C@@H](O)C(O)[C@H](O)[C@@H]1O
InChIInChI=1S/C8H15NO5/c1-9-8(14)3-2-4(10)6(12)7(13)5(3)11/h3-7,10-13H,2H2,1H3,(H,9,14)/t3?,4-,5-,6?,7-/m1/s1
InChIKeyDGQZABJYCRQVIE-LFLSBTFLSA-N
MW205.21 g/mol
LogP-2.80
Rot. Bonds1

About (2R,3R,5R)-2,3,4,5-tetrahydroxy-N-methylcyclohexane-1-carboxamide

(2R,3R,5R)-2,3,4,5-tetrahydroxy-N-methylcyclohexane-1-carboxamide (PubChem CID 91283477) has the molecular formula C8H15NO5 and a molecular weight of 205.21 g/mol. Its IUPAC name is (2R,3R,5R)-2,3,4,5-tetrahydroxy-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name(2R,3R,5R)-2,3,4,5-tetrahydroxy-N-methylcyclohexane-1-carboxamide
PubChem CID91283477
Molecular FormulaC8H15NO5
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Name(2R,3R,5R)-2,3,4,5-tetrahydroxy-N-methylcyclohexane-1-carboxamide
SMILESCNC(=O)C1C[C@@H](O)C(O)[C@H](O)[C@@H]1O
InChIInChI=1S/C8H15NO5/c1-9-8(14)3-2-4(10)6(12)7(13)5(3)11/h3-7,10-13H,2H2,1H3,(H,9,14)/t3?,4-,5-,6?,7-/m1/s1
InChIKeyDGQZABJYCRQVIE-LFLSBTFLSA-N
XLogP-2.80
TPSA110.02 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 5-2.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,5R)-2,3,4,5-tetrahydroxy-N-methylcyclohexane-1-carboxamide?
The IUPAC name of (2R,3R,5R)-2,3,4,5-tetrahydroxy-N-methylcyclohexane-1-carboxamide (CID 91283477) is (2R,3R,5R)-2,3,4,5-tetrahydroxy-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for (2R,3R,5R)-2,3,4,5-tetrahydroxy-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for (2R,3R,5R)-2,3,4,5-tetrahydroxy-N-methylcyclohexane-1-carboxamide is CNC(=O)C1C[C@@H](O)C(O)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,5R)-2,3,4,5-tetrahydroxy-N-methylcyclohexane-1-carboxamide?
The InChIKey is DGQZABJYCRQVIE-LFLSBTFLSA-N. The full InChI is InChI=1S/C8H15NO5/c1-9-8(14)3-2-4(10)6(12)7(13)5(3)11/h3-7,10-13H,2H2,1H3,(H,9,14)/t3?,4-,5-,6?,7-/m1/s1.
What are the key properties of (2R,3R,5R)-2,3,4,5-tetrahydroxy-N-methylcyclohexane-1-carboxamide?
(2R,3R,5R)-2,3,4,5-tetrahydroxy-N-methylcyclohexane-1-carboxamide has a molecular weight of 205.21 g/mol, XLogP of -2.80, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5R)-2,3,4,5-tetrahydroxy-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 91283477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).