2-methyl-N-[[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]prop-2-enamide

C10H17NO6 — CID 11032184

IUPAC2-methyl-N-[[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]prop-2-enamide
SMILESC=C(C)C(=O)NC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C10H17NO6/c1-4(2)9(15)11-3-5-6(12)7(13)8(14)10(16)17-5/h5-8,10,12-14,16H,1,3H2,2H3,(H,11,15)/t5-,6-,7+,8-,10?/m1/s1
InChIKeyGSRIXSYQYKBHHI-WQXQQRIOSA-N
MW247.25 g/mol
LogP-2.52
Rot. Bonds3

About 2-methyl-N-[[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]prop-2-enamide

2-methyl-N-[[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]prop-2-enamide (PubChem CID 11032184) has the molecular formula C10H17NO6 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-methyl-N-[[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]prop-2-enamide
PubChem CID11032184
Molecular FormulaC10H17NO6
Molecular Weight247.25 g/mol
Exact Mass247.11
IUPAC Name2-methyl-N-[[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]prop-2-enamide
SMILESC=C(C)C(=O)NC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C10H17NO6/c1-4(2)9(15)11-3-5-6(12)7(13)8(14)10(16)17-5/h5-8,10,12-14,16H,1,3H2,2H3,(H,11,15)/t5-,6-,7+,8-,10?/m1/s1
InChIKeyGSRIXSYQYKBHHI-WQXQQRIOSA-N
XLogP-2.52
TPSA119.25 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 5-2.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-methyl-N-[[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]prop-2-enamide 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 2-methyl-N-[[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]prop-2-enamide (CID 11032184) is 2-methyl-N-[[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]prop-2-enamide is C=C(C)C(=O)NC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of 2-methyl-N-[[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]prop-2-enamide?
The InChIKey is GSRIXSYQYKBHHI-WQXQQRIOSA-N. The full InChI is InChI=1S/C10H17NO6/c1-4(2)9(15)11-3-5-6(12)7(13)8(14)10(16)17-5/h5-8,10,12-14,16H,1,3H2,2H3,(H,11,15)/t5-,6-,7+,8-,10?/m1/s1.
What are the key properties of 2-methyl-N-[[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]prop-2-enamide?
2-methyl-N-[[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]prop-2-enamide has a molecular weight of 247.25 g/mol, XLogP of -2.52, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]prop-2-enamide is sourced from PubChem (CID 11032184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).