N-[1-(dimethylamino)propyl]-2-methylprop-2-enamide;2-hydroxypropanoic acid

C12H24N2O4 — CID 19967462

IUPACN-[1-(dimethylamino)propyl]-2-methylprop-2-enamide;2-hydroxypropanoic acid
SMILESC=C(C)C(=O)NC(CC)N(C)C.CC(O)C(=O)O
InChIInChI=1S/C9H18N2O.C3H6O3/c1-6-8(11(4)5)10-9(12)7(2)3;1-2(4)3(5)6/h8H,2,6H2,1,3-5H3,(H,10,12);2,4H,1H3,(H,5,6)
InChIKeyHDUNRSGWAXAEGR-UHFFFAOYSA-N
MW260.33 g/mol
LogP0.43
Rot. Bonds5

About N-[1-(dimethylamino)propyl]-2-methylprop-2-enamide;2-hydroxypropanoic acid

N-[1-(dimethylamino)propyl]-2-methylprop-2-enamide;2-hydroxypropanoic acid (PubChem CID 19967462) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is N-[1-(dimethylamino)propyl]-2-methylprop-2-enamide;2-hydroxypropanoic acid.

Molecular Properties

Compound NameN-[1-(dimethylamino)propyl]-2-methylprop-2-enamide;2-hydroxypropanoic acid
PubChem CID19967462
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC NameN-[1-(dimethylamino)propyl]-2-methylprop-2-enamide;2-hydroxypropanoic acid
SMILESC=C(C)C(=O)NC(CC)N(C)C.CC(O)C(=O)O
InChIInChI=1S/C9H18N2O.C3H6O3/c1-6-8(11(4)5)10-9(12)7(2)3;1-2(4)3(5)6/h8H,2,6H2,1,3-5H3,(H,10,12);2,4H,1H3,(H,5,6)
InChIKeyHDUNRSGWAXAEGR-UHFFFAOYSA-N
XLogP0.43
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)propyl]-2-methylprop-2-enamide;2-hydroxypropanoic acid?
The IUPAC name of N-[1-(dimethylamino)propyl]-2-methylprop-2-enamide;2-hydroxypropanoic acid (CID 19967462) is N-[1-(dimethylamino)propyl]-2-methylprop-2-enamide;2-hydroxypropanoic acid.
What is the SMILES notation for N-[1-(dimethylamino)propyl]-2-methylprop-2-enamide;2-hydroxypropanoic acid?
The canonical SMILES for N-[1-(dimethylamino)propyl]-2-methylprop-2-enamide;2-hydroxypropanoic acid is C=C(C)C(=O)NC(CC)N(C)C.CC(O)C(=O)O.
What is the InChIKey of N-[1-(dimethylamino)propyl]-2-methylprop-2-enamide;2-hydroxypropanoic acid?
The InChIKey is HDUNRSGWAXAEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.C3H6O3/c1-6-8(11(4)5)10-9(12)7(2)3;1-2(4)3(5)6/h8H,2,6H2,1,3-5H3,(H,10,12);2,4H,1H3,(H,5,6).
What are the key properties of N-[1-(dimethylamino)propyl]-2-methylprop-2-enamide;2-hydroxypropanoic acid?
N-[1-(dimethylamino)propyl]-2-methylprop-2-enamide;2-hydroxypropanoic acid has a molecular weight of 260.33 g/mol, XLogP of 0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)propyl]-2-methylprop-2-enamide;2-hydroxypropanoic acid is sourced from PubChem (CID 19967462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).