2-(dimethylamino)propanamide;2-methylprop-2-enoic acid

C9H18N2O3 — CID 175460965

IUPAC2-(dimethylamino)propanamide;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.CC(C(N)=O)N(C)C
InChIInChI=1S/C5H12N2O.C4H6O2/c1-4(5(6)8)7(2)3;1-3(2)4(5)6/h4H,1-3H3,(H2,6,8);1H2,2H3,(H,5,6)
InChIKeyCELCBCDTBBWBJC-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.07
Rot. Bonds3

About 2-(dimethylamino)propanamide;2-methylprop-2-enoic acid

2-(dimethylamino)propanamide;2-methylprop-2-enoic acid (PubChem CID 175460965) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-(dimethylamino)propanamide;2-methylprop-2-enoic acid.

Molecular Properties

Compound Name2-(dimethylamino)propanamide;2-methylprop-2-enoic acid
PubChem CID175460965
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name2-(dimethylamino)propanamide;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.CC(C(N)=O)N(C)C
InChIInChI=1S/C5H12N2O.C4H6O2/c1-4(5(6)8)7(2)3;1-3(2)4(5)6/h4H,1-3H3,(H2,6,8);1H2,2H3,(H,5,6)
InChIKeyCELCBCDTBBWBJC-UHFFFAOYSA-N
XLogP0.07
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N',1-N'-dimethylethane-1,1-diamine;2-methylprop-2-enoic acid;hydrochloride
CID 174987164
2-aminopropanamide;2-methylprop-2-enoic acid;hydrochloride
CID 175162079
3-N,3-N-dimethylbut-1-ene-2,3-diamine
CID 89045153
2-methylprop-2-enamide;2-methylprop-2-enoic acid;propan-2-one
CID 159159357
(2S)-2-[acetyl(methyl)amino]propanamide
CID 55282132
potassium;sodium;hydride;2-methylprop-2-enoic acid
CID 175065852
acetic acid;2-(dimethylamino)propanoic acid;guanidine
CID 159632012
tris(2-methylprop-2-enoic acid);zirconium
CID 175448767
λ2-plumbane;2-methylprop-2-enoic acid
CID 173012443
CID 131883821
CID 131883821
acetic acid;2-methylprop-2-enoic acid
CID 21426946
ethane;bis(2-methylprop-2-enoic acid)
CID 87619293

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)propanamide;2-methylprop-2-enoic acid?
The IUPAC name of 2-(dimethylamino)propanamide;2-methylprop-2-enoic acid (CID 175460965) is 2-(dimethylamino)propanamide;2-methylprop-2-enoic acid.
What is the SMILES notation for 2-(dimethylamino)propanamide;2-methylprop-2-enoic acid?
The canonical SMILES for 2-(dimethylamino)propanamide;2-methylprop-2-enoic acid is C=C(C)C(=O)O.CC(C(N)=O)N(C)C.
What is the InChIKey of 2-(dimethylamino)propanamide;2-methylprop-2-enoic acid?
The InChIKey is CELCBCDTBBWBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O.C4H6O2/c1-4(5(6)8)7(2)3;1-3(2)4(5)6/h4H,1-3H3,(H2,6,8);1H2,2H3,(H,5,6).
What are the key properties of 2-(dimethylamino)propanamide;2-methylprop-2-enoic acid?
2-(dimethylamino)propanamide;2-methylprop-2-enoic acid has a molecular weight of 202.25 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)propanamide;2-methylprop-2-enoic acid is sourced from PubChem (CID 175460965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).