N-[1-(dimethylamino)propyl]prop-2-enamide;propanoic acid

C11H22N2O3 — CID 158697424

IUPACN-[1-(dimethylamino)propyl]prop-2-enamide;propanoic acid
SMILESC=CC(=O)NC(CC)N(C)C.CCC(=O)O
InChIInChI=1S/C8H16N2O.C3H6O2/c1-5-7(10(3)4)9-8(11)6-2;1-2-3(4)5/h6-7H,2,5H2,1,3-4H3,(H,9,11);2H2,1H3,(H,4,5)
InChIKeyIHCWZTAESJPNFN-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.07
Rot. Bonds5

About N-[1-(dimethylamino)propyl]prop-2-enamide;propanoic acid

N-[1-(dimethylamino)propyl]prop-2-enamide;propanoic acid (PubChem CID 158697424) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[1-(dimethylamino)propyl]prop-2-enamide;propanoic acid.

Molecular Properties

Compound NameN-[1-(dimethylamino)propyl]prop-2-enamide;propanoic acid
PubChem CID158697424
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC NameN-[1-(dimethylamino)propyl]prop-2-enamide;propanoic acid
SMILESC=CC(=O)NC(CC)N(C)C.CCC(=O)O
InChIInChI=1S/C8H16N2O.C3H6O2/c1-5-7(10(3)4)9-8(11)6-2;1-2-3(4)5/h6-7H,2,5H2,1,3-4H3,(H,9,11);2H2,1H3,(H,4,5)
InChIKeyIHCWZTAESJPNFN-UHFFFAOYSA-N
XLogP1.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.07
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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Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)propyl]prop-2-enamide;propanoic acid?
The IUPAC name of N-[1-(dimethylamino)propyl]prop-2-enamide;propanoic acid (CID 158697424) is N-[1-(dimethylamino)propyl]prop-2-enamide;propanoic acid.
What is the SMILES notation for N-[1-(dimethylamino)propyl]prop-2-enamide;propanoic acid?
The canonical SMILES for N-[1-(dimethylamino)propyl]prop-2-enamide;propanoic acid is C=CC(=O)NC(CC)N(C)C.CCC(=O)O.
What is the InChIKey of N-[1-(dimethylamino)propyl]prop-2-enamide;propanoic acid?
The InChIKey is IHCWZTAESJPNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.C3H6O2/c1-5-7(10(3)4)9-8(11)6-2;1-2-3(4)5/h6-7H,2,5H2,1,3-4H3,(H,9,11);2H2,1H3,(H,4,5).
What are the key properties of N-[1-(dimethylamino)propyl]prop-2-enamide;propanoic acid?
N-[1-(dimethylamino)propyl]prop-2-enamide;propanoic acid has a molecular weight of 230.31 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)propyl]prop-2-enamide;propanoic acid is sourced from PubChem (CID 158697424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).