N-tert-butylprop-2-enamide;2-methylprop-2-enoic acid

C11H19NO3 — CID 19892607

IUPACN-tert-butylprop-2-enamide;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.C=CC(=O)NC(C)(C)C
InChIInChI=1S/C7H13NO.C4H6O2/c1-5-6(9)8-7(2,3)4;1-3(2)4(5)6/h5H,1H2,2-4H3,(H,8,9);1H2,2H3,(H,5,6)
InChIKeyMTDFIWPRXQCEPI-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.73
Rot. Bonds2

About N-tert-butylprop-2-enamide;2-methylprop-2-enoic acid

N-tert-butylprop-2-enamide;2-methylprop-2-enoic acid (PubChem CID 19892607) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-tert-butylprop-2-enamide;2-methylprop-2-enoic acid.

Molecular Properties

Compound NameN-tert-butylprop-2-enamide;2-methylprop-2-enoic acid
PubChem CID19892607
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC NameN-tert-butylprop-2-enamide;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.C=CC(=O)NC(C)(C)C
InChIInChI=1S/C7H13NO.C4H6O2/c1-5-6(9)8-7(2,3)4;1-3(2)4(5)6/h5H,1H2,2-4H3,(H,8,9);1H2,2H3,(H,5,6)
InChIKeyMTDFIWPRXQCEPI-UHFFFAOYSA-N
XLogP1.73
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-tert-butylprop-2-enamide;2-methylprop-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butylprop-2-enamide;2-methylprop-2-enoic acid?
The IUPAC name of N-tert-butylprop-2-enamide;2-methylprop-2-enoic acid (CID 19892607) is N-tert-butylprop-2-enamide;2-methylprop-2-enoic acid.
What is the SMILES notation for N-tert-butylprop-2-enamide;2-methylprop-2-enoic acid?
The canonical SMILES for N-tert-butylprop-2-enamide;2-methylprop-2-enoic acid is C=C(C)C(=O)O.C=CC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butylprop-2-enamide;2-methylprop-2-enoic acid?
The InChIKey is MTDFIWPRXQCEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.C4H6O2/c1-5-6(9)8-7(2,3)4;1-3(2)4(5)6/h5H,1H2,2-4H3,(H,8,9);1H2,2H3,(H,5,6).
What are the key properties of N-tert-butylprop-2-enamide;2-methylprop-2-enoic acid?
N-tert-butylprop-2-enamide;2-methylprop-2-enoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylprop-2-enamide;2-methylprop-2-enoic acid is sourced from PubChem (CID 19892607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).