2-(methylamino)acetamide;2-methylprop-2-enoic acid

C7H14N2O3 — CID 22182173

IUPAC2-(methylamino)acetamide;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.CNCC(N)=O
InChIInChI=1S/C4H6O2.C3H8N2O/c1-3(2)4(5)6;1-5-2-3(4)6/h1H2,2H3,(H,5,6);5H,2H2,1H3,(H2,4,6)
InChIKeyVOVCGZDXKZKHEM-UHFFFAOYSA-N
MW174.20 g/mol
LogP-0.66
Rot. Bonds3

About 2-(methylamino)acetamide;2-methylprop-2-enoic acid

2-(methylamino)acetamide;2-methylprop-2-enoic acid (PubChem CID 22182173) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-(methylamino)acetamide;2-methylprop-2-enoic acid.

Molecular Properties

Compound Name2-(methylamino)acetamide;2-methylprop-2-enoic acid
PubChem CID22182173
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name2-(methylamino)acetamide;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.CNCC(N)=O
InChIInChI=1S/C4H6O2.C3H8N2O/c1-3(2)4(5)6;1-5-2-3(4)6/h1H2,2H3,(H,5,6);5H,2H2,1H3,(H2,4,6)
InChIKeyVOVCGZDXKZKHEM-UHFFFAOYSA-N
XLogP-0.66
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.66
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

N-methylmethanamine;bis(2-methylprop-2-enoic acid)
CID 175091080
methyl carbamate;2-methylprop-2-enoic acid
CID 118388900
aminomethanol;2-methylprop-2-enoic acid
CID 122684678
2-methylprop-2-enamide;2-methylprop-2-enoic acid;propan-2-one
CID 159159357
methylalumane;tris(2-methylprop-2-enoic acid);hydrochloride
CID 173193272
ethene;bis(2-methylprop-2-enoic acid)
CID 158500428
CID 131883821
CID 131883821
tris(2-methylprop-2-enoic acid);yttrium
CID 121233543
acetic acid;2-methylprop-2-enoic acid
CID 21426946
ethane;bis(2-methylprop-2-enoic acid)
CID 87619293
tris(2-methylprop-2-enoic acid);zirconium
CID 175448767
2-Propenoic acid,2-methyl-, aluminum salt (3:1)
CID 87069865

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)acetamide;2-methylprop-2-enoic acid?
The IUPAC name of 2-(methylamino)acetamide;2-methylprop-2-enoic acid (CID 22182173) is 2-(methylamino)acetamide;2-methylprop-2-enoic acid.
What is the SMILES notation for 2-(methylamino)acetamide;2-methylprop-2-enoic acid?
The canonical SMILES for 2-(methylamino)acetamide;2-methylprop-2-enoic acid is C=C(C)C(=O)O.CNCC(N)=O.
What is the InChIKey of 2-(methylamino)acetamide;2-methylprop-2-enoic acid?
The InChIKey is VOVCGZDXKZKHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.C3H8N2O/c1-3(2)4(5)6;1-5-2-3(4)6/h1H2,2H3,(H,5,6);5H,2H2,1H3,(H2,4,6).
What are the key properties of 2-(methylamino)acetamide;2-methylprop-2-enoic acid?
2-(methylamino)acetamide;2-methylprop-2-enoic acid has a molecular weight of 174.20 g/mol, XLogP of -0.66, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)acetamide;2-methylprop-2-enoic acid is sourced from PubChem (CID 22182173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).