2-methyl-N-(1,2,3,5-tetrahydroxy-4-methoxypentyl)prop-2-enamide

C10H19NO6 — CID 176964347

IUPAC2-methyl-N-(1,2,3,5-tetrahydroxy-4-methoxypentyl)prop-2-enamide
SMILESC=C(C)C(=O)NC(O)C(O)C(O)C(CO)OC
InChIInChI=1S/C10H19NO6/c1-5(2)9(15)11-10(16)8(14)7(13)6(4-12)17-3/h6-8,10,12-14,16H,1,4H2,2-3H3,(H,11,15)
InChIKeyGNRHOVQHUQDLSJ-UHFFFAOYSA-N
MW249.26 g/mol
LogP-2.27
Rot. Bonds7

About 2-methyl-N-(1,2,3,5-tetrahydroxy-4-methoxypentyl)prop-2-enamide

2-methyl-N-(1,2,3,5-tetrahydroxy-4-methoxypentyl)prop-2-enamide (PubChem CID 176964347) has the molecular formula C10H19NO6 and a molecular weight of 249.26 g/mol. Its IUPAC name is 2-methyl-N-(1,2,3,5-tetrahydroxy-4-methoxypentyl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(1,2,3,5-tetrahydroxy-4-methoxypentyl)prop-2-enamide
PubChem CID176964347
Molecular FormulaC10H19NO6
Molecular Weight249.26 g/mol
Exact Mass249.12
IUPAC Name2-methyl-N-(1,2,3,5-tetrahydroxy-4-methoxypentyl)prop-2-enamide
SMILESC=C(C)C(=O)NC(O)C(O)C(O)C(CO)OC
InChIInChI=1S/C10H19NO6/c1-5(2)9(15)11-10(16)8(14)7(13)6(4-12)17-3/h6-8,10,12-14,16H,1,4H2,2-3H3,(H,11,15)
InChIKeyGNRHOVQHUQDLSJ-UHFFFAOYSA-N
XLogP-2.27
TPSA119.25 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 5-2.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(1,2-dihydroxyethyl)-2-methylprop-2-enamide
CID 88801162
N-[hydroxy(methoxy)methyl]-2-methylprop-2-enamide
CID 54452734
(2R,3R)-4-methoxypentane-1,2,3,5-tetrol
CID 89370053
2-methyl-N-[(2R,3S,4S,5R)-2,4,5,6-tetrahydroxy-1-oxohexan-3-yl]prop-2-enamide
CID 22858879
ethyl 2-methoxy-2-(2-methylprop-2-enoylamino)acetate
CID 139839908
4,5,6,7,9-pentahydroxy-8-methoxy-2-oxononanoic acid
CID 135306451
(2S,3R)-2,3-dimethoxybutane-1,4-diol
CID 119097957
2-methyl-N-[(2R,3S)-3-(2-methylprop-2-enoylamino)butan-2-yl]prop-2-enamide
CID 167017883
2-hydroxy-2-(2-methylprop-2-enoylamino)acetic acid
CID 18937473
N-[1-[[1-[(1-amino-3-hydroxy-1-oxopropan-2-yl)amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-2-methylprop-2-enamide
CID 88870162
ethyl 2-(2-methylprop-2-enoylamino)propanoate
CID 86135895
[2,3-dihydroxy-1-(2-methylprop-2-enoylamino)propyl]-dimethyl-propylazanium chloride
CID 88595619

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1,2,3,5-tetrahydroxy-4-methoxypentyl)prop-2-enamide?
The IUPAC name of 2-methyl-N-(1,2,3,5-tetrahydroxy-4-methoxypentyl)prop-2-enamide (CID 176964347) is 2-methyl-N-(1,2,3,5-tetrahydroxy-4-methoxypentyl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N-(1,2,3,5-tetrahydroxy-4-methoxypentyl)prop-2-enamide?
The canonical SMILES for 2-methyl-N-(1,2,3,5-tetrahydroxy-4-methoxypentyl)prop-2-enamide is C=C(C)C(=O)NC(O)C(O)C(O)C(CO)OC.
What is the InChIKey of 2-methyl-N-(1,2,3,5-tetrahydroxy-4-methoxypentyl)prop-2-enamide?
The InChIKey is GNRHOVQHUQDLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO6/c1-5(2)9(15)11-10(16)8(14)7(13)6(4-12)17-3/h6-8,10,12-14,16H,1,4H2,2-3H3,(H,11,15).
What are the key properties of 2-methyl-N-(1,2,3,5-tetrahydroxy-4-methoxypentyl)prop-2-enamide?
2-methyl-N-(1,2,3,5-tetrahydroxy-4-methoxypentyl)prop-2-enamide has a molecular weight of 249.26 g/mol, XLogP of -2.27, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1,2,3,5-tetrahydroxy-4-methoxypentyl)prop-2-enamide is sourced from PubChem (CID 176964347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).