2-methylprop-2-enamide;2-methyl-2-(prop-2-enoylamino)propanoic acid

C11H18N2O4 — CID 175096839

IUPAC2-methylprop-2-enamide;2-methyl-2-(prop-2-enoylamino)propanoic acid
SMILESC=C(C)C(N)=O.C=CC(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C7H11NO3.C4H7NO/c1-4-5(9)8-7(2,3)6(10)11;1-3(2)4(5)6/h4H,1H2,2-3H3,(H,8,9)(H,10,11);1H2,2H3,(H2,5,6)
InChIKeyAIPYPCRQQOGRNY-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.20
Rot. Bonds4

About 2-methylprop-2-enamide;2-methyl-2-(prop-2-enoylamino)propanoic acid

2-methylprop-2-enamide;2-methyl-2-(prop-2-enoylamino)propanoic acid (PubChem CID 175096839) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-methylprop-2-enamide;2-methyl-2-(prop-2-enoylamino)propanoic acid.

Molecular Properties

Compound Name2-methylprop-2-enamide;2-methyl-2-(prop-2-enoylamino)propanoic acid
PubChem CID175096839
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name2-methylprop-2-enamide;2-methyl-2-(prop-2-enoylamino)propanoic acid
SMILESC=C(C)C(N)=O.C=CC(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C7H11NO3.C4H7NO/c1-4-5(9)8-7(2,3)6(10)11;1-3(2)4(5)6/h4H,1H2,2-3H3,(H,8,9)(H,10,11);1H2,2H3,(H2,5,6)
InChIKeyAIPYPCRQQOGRNY-UHFFFAOYSA-N
XLogP0.20
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methylprop-2-enamide;2-(prop-2-enoylamino)butane-2-sulfonic acid
CID 174519235
N-[1-amino-1-(prop-2-enoylamino)ethyl]prop-2-enamide
CID 87509338
2-methyl-2-(prop-2-enoylamino)propanoate
CID 19018280
2-methylprop-2-enamide;prop-2-enamide;prop-2-enoic acid
CID 157463819
ethenol;2-methylprop-2-enamide
CID 87880771
N-(2-methyl-3-oxopentan-2-yl)prop-2-enamide
CID 21274347
2-methylprop-2-enamide;prop-2-enoyl chloride
CID 174876854
N-tert-butylprop-2-enamide;sulfane
CID 158648389
N-methylmethanamine;2-methylprop-2-enamide
CID 87110078
2-methylprop-2-enamide;hydrate
CID 88749193
10-methyl-9-oxo-10-(prop-2-enoylamino)undecanoic acid
CID 159095160
N-(2-methyl-3,9-dioxodecan-2-yl)prop-2-enamide
CID 153102951

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enamide;2-methyl-2-(prop-2-enoylamino)propanoic acid?
The IUPAC name of 2-methylprop-2-enamide;2-methyl-2-(prop-2-enoylamino)propanoic acid (CID 175096839) is 2-methylprop-2-enamide;2-methyl-2-(prop-2-enoylamino)propanoic acid.
What is the SMILES notation for 2-methylprop-2-enamide;2-methyl-2-(prop-2-enoylamino)propanoic acid?
The canonical SMILES for 2-methylprop-2-enamide;2-methyl-2-(prop-2-enoylamino)propanoic acid is C=C(C)C(N)=O.C=CC(=O)NC(C)(C)C(=O)O.
What is the InChIKey of 2-methylprop-2-enamide;2-methyl-2-(prop-2-enoylamino)propanoic acid?
The InChIKey is AIPYPCRQQOGRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3.C4H7NO/c1-4-5(9)8-7(2,3)6(10)11;1-3(2)4(5)6/h4H,1H2,2-3H3,(H,8,9)(H,10,11);1H2,2H3,(H2,5,6).
What are the key properties of 2-methylprop-2-enamide;2-methyl-2-(prop-2-enoylamino)propanoic acid?
2-methylprop-2-enamide;2-methyl-2-(prop-2-enoylamino)propanoic acid has a molecular weight of 242.27 g/mol, XLogP of 0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enamide;2-methyl-2-(prop-2-enoylamino)propanoic acid is sourced from PubChem (CID 175096839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).