N-[hydroxy(methoxy)methyl]-2-methylprop-2-enamide

C6H11NO3 — CID 54452734

IUPACN-[hydroxy(methoxy)methyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(O)OC
InChIInChI=1S/C6H11NO3/c1-4(2)5(8)7-6(9)10-3/h6,9H,1H2,2-3H3,(H,7,8)
InChIKeyWWBOWCCBSJYLSU-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.40
Rot. Bonds3

About N-[hydroxy(methoxy)methyl]-2-methylprop-2-enamide

N-[hydroxy(methoxy)methyl]-2-methylprop-2-enamide (PubChem CID 54452734) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is N-[hydroxy(methoxy)methyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[hydroxy(methoxy)methyl]-2-methylprop-2-enamide
PubChem CID54452734
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC NameN-[hydroxy(methoxy)methyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(O)OC
InChIInChI=1S/C6H11NO3/c1-4(2)5(8)7-6(9)10-3/h6,9H,1H2,2-3H3,(H,7,8)
InChIKeyWWBOWCCBSJYLSU-UHFFFAOYSA-N
XLogP-0.40
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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-(1,2-dihydroxyethyl)-2-methylprop-2-enamide
CID 88801162
2-methyl-N-(1,2,3,5-tetrahydroxy-4-methoxypentyl)prop-2-enamide
CID 176964347
ethyl 2-methoxy-2-(2-methylprop-2-enoylamino)acetate
CID 139839908
2-methyl-N-[(1S)-1-sulfanylethyl]prop-2-enamide
CID 134338956
2-methyl-N-(2-methylprop-2-enoylcarbamoyl)prop-2-enamide
CID 14817903
bis(2-methylprop-2-enoylamino)methanesulfonate
CID 140789010
ethyl 2-(2-methylprop-2-enoylamino)propanoate
CID 86135895
1-methoxyethyl N-(2-methylprop-2-enoyl)carbamate
CID 18965589
dimethyl 2-[[2-[[2-[[2-(2-methylprop-2-enoylamino)acetyl]amino]acetyl]amino]acetyl]amino]propanedioate
CID 46833858
2-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]prop-2-enamide
CID 23064653

Frequently Asked Questions

What is the IUPAC name of N-[hydroxy(methoxy)methyl]-2-methylprop-2-enamide?
The IUPAC name of N-[hydroxy(methoxy)methyl]-2-methylprop-2-enamide (CID 54452734) is N-[hydroxy(methoxy)methyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[hydroxy(methoxy)methyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[hydroxy(methoxy)methyl]-2-methylprop-2-enamide is C=C(C)C(=O)NC(O)OC.
What is the InChIKey of N-[hydroxy(methoxy)methyl]-2-methylprop-2-enamide?
The InChIKey is WWBOWCCBSJYLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-4(2)5(8)7-6(9)10-3/h6,9H,1H2,2-3H3,(H,7,8).
What are the key properties of N-[hydroxy(methoxy)methyl]-2-methylprop-2-enamide?
N-[hydroxy(methoxy)methyl]-2-methylprop-2-enamide has a molecular weight of 145.16 g/mol, XLogP of -0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[hydroxy(methoxy)methyl]-2-methylprop-2-enamide is sourced from PubChem (CID 54452734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).