(2R,3S,4S,5S)-2,3,4,5-tetrahydroxy-N-methyl-6-oxoheptanamide

C8H15NO6 — CID 59866873

IUPAC(2R,3S,4S,5S)-2,3,4,5-tetrahydroxy-N-methyl-6-oxoheptanamide
SMILESCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(C)=O
InChIInChI=1S/C8H15NO6/c1-3(10)4(11)5(12)6(13)7(14)8(15)9-2/h4-7,11-14H,1-2H3,(H,9,15)/t4-,5-,6+,7-/m1/s1
InChIKeyFOCLNEVXGCFIKZ-MVIOUDGNSA-N
MW221.21 g/mol
LogP-3.23
Rot. Bonds5

About (2R,3S,4S,5S)-2,3,4,5-tetrahydroxy-N-methyl-6-oxoheptanamide

(2R,3S,4S,5S)-2,3,4,5-tetrahydroxy-N-methyl-6-oxoheptanamide (PubChem CID 59866873) has the molecular formula C8H15NO6 and a molecular weight of 221.21 g/mol. Its IUPAC name is (2R,3S,4S,5S)-2,3,4,5-tetrahydroxy-N-methyl-6-oxoheptanamide.

Molecular Properties

Compound Name(2R,3S,4S,5S)-2,3,4,5-tetrahydroxy-N-methyl-6-oxoheptanamide
PubChem CID59866873
Molecular FormulaC8H15NO6
Molecular Weight221.21 g/mol
Exact Mass221.09
IUPAC Name(2R,3S,4S,5S)-2,3,4,5-tetrahydroxy-N-methyl-6-oxoheptanamide
SMILESCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(C)=O
InChIInChI=1S/C8H15NO6/c1-3(10)4(11)5(12)6(13)7(14)8(15)9-2/h4-7,11-14H,1-2H3,(H,9,15)/t4-,5-,6+,7-/m1/s1
InChIKeyFOCLNEVXGCFIKZ-MVIOUDGNSA-N
XLogP-3.23
TPSA127.09 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 5-3.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze (2R,3S,4S,5S)-2,3,4,5-tetrahydroxy-N-methyl-6-oxoheptanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5S)-2,3,4,5-tetrahydroxy-N-methyl-6-oxoheptanamide?
The IUPAC name of (2R,3S,4S,5S)-2,3,4,5-tetrahydroxy-N-methyl-6-oxoheptanamide (CID 59866873) is (2R,3S,4S,5S)-2,3,4,5-tetrahydroxy-N-methyl-6-oxoheptanamide.
What is the SMILES notation for (2R,3S,4S,5S)-2,3,4,5-tetrahydroxy-N-methyl-6-oxoheptanamide?
The canonical SMILES for (2R,3S,4S,5S)-2,3,4,5-tetrahydroxy-N-methyl-6-oxoheptanamide is CNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(C)=O.
What is the InChIKey of (2R,3S,4S,5S)-2,3,4,5-tetrahydroxy-N-methyl-6-oxoheptanamide?
The InChIKey is FOCLNEVXGCFIKZ-MVIOUDGNSA-N. The full InChI is InChI=1S/C8H15NO6/c1-3(10)4(11)5(12)6(13)7(14)8(15)9-2/h4-7,11-14H,1-2H3,(H,9,15)/t4-,5-,6+,7-/m1/s1.
What are the key properties of (2R,3S,4S,5S)-2,3,4,5-tetrahydroxy-N-methyl-6-oxoheptanamide?
(2R,3S,4S,5S)-2,3,4,5-tetrahydroxy-N-methyl-6-oxoheptanamide has a molecular weight of 221.21 g/mol, XLogP of -3.23, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5S)-2,3,4,5-tetrahydroxy-N-methyl-6-oxoheptanamide is sourced from PubChem (CID 59866873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).