N-(2-amino-2-methylpropyl)-2-methylprop-2-enamide;2-methylprop-2-enoic acid

C12H22N2O3 — CID 159640819

IUPACN-(2-amino-2-methylpropyl)-2-methylprop-2-enamide;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)NCC(C)(C)N.C=C(C)C(=O)O
InChIInChI=1S/C8H16N2O.C4H6O2/c1-6(2)7(11)10-5-8(3,4)9;1-3(2)4(5)6/h1,5,9H2,2-4H3,(H,10,11);1H2,2H3,(H,5,6)
InChIKeyMQIIZFQSPJDQNZ-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.06
Rot. Bonds4

About N-(2-amino-2-methylpropyl)-2-methylprop-2-enamide;2-methylprop-2-enoic acid

N-(2-amino-2-methylpropyl)-2-methylprop-2-enamide;2-methylprop-2-enoic acid (PubChem CID 159640819) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-2-methylprop-2-enamide;2-methylprop-2-enoic acid.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-2-methylprop-2-enamide;2-methylprop-2-enoic acid
PubChem CID159640819
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC NameN-(2-amino-2-methylpropyl)-2-methylprop-2-enamide;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)NCC(C)(C)N.C=C(C)C(=O)O
InChIInChI=1S/C8H16N2O.C4H6O2/c1-6(2)7(11)10-5-8(3,4)9;1-3(2)4(5)6/h1,5,9H2,2-4H3,(H,10,11);1H2,2H3,(H,5,6)
InChIKeyMQIIZFQSPJDQNZ-UHFFFAOYSA-N
XLogP1.06
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.06
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

2-[(2-amino-2-methylpropyl)amino]-2-oxoacetic acid
CID 131207029
N-[2-(tert-butylamino)-3-(2-methylprop-2-enoylamino)-2-[(2-methylprop-2-enoylamino)methyl]propyl]-2-methylprop-2-enamide
CID 58422255
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylprop-2-enamide
CID 3018570
N-(2,2-dimethylhexyl)-2-methylprop-2-enamide
CID 129167634
2,2-dimethylpropane;ethane-1,2-diol;bis(2-methylprop-2-enoic acid)
CID 174523782
3-[(2-methylprop-2-enoylamino)methyl]pentan-3-ylphosphonic acid
CID 87115726
aminomethanol;2-methylprop-2-enoic acid
CID 122684678
2-(hydroxymethyl)-2-methylpropane-1,3-diol;tetrakis(2-methylprop-2-enoic acid)
CID 158865662
2-methylprop-2-enoic acid;trihydroxysilane
CID 175526061
N-methylmethanamine;bis(2-methylprop-2-enoic acid)
CID 175091080
ethene;bis(2-methylprop-2-enoic acid)
CID 158500428
acetic acid;2-methylprop-2-enoic acid
CID 21426946

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-2-methylprop-2-enamide;2-methylprop-2-enoic acid?
The IUPAC name of N-(2-amino-2-methylpropyl)-2-methylprop-2-enamide;2-methylprop-2-enoic acid (CID 159640819) is N-(2-amino-2-methylpropyl)-2-methylprop-2-enamide;2-methylprop-2-enoic acid.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-2-methylprop-2-enamide;2-methylprop-2-enoic acid?
The canonical SMILES for N-(2-amino-2-methylpropyl)-2-methylprop-2-enamide;2-methylprop-2-enoic acid is C=C(C)C(=O)NCC(C)(C)N.C=C(C)C(=O)O.
What is the InChIKey of N-(2-amino-2-methylpropyl)-2-methylprop-2-enamide;2-methylprop-2-enoic acid?
The InChIKey is MQIIZFQSPJDQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.C4H6O2/c1-6(2)7(11)10-5-8(3,4)9;1-3(2)4(5)6/h1,5,9H2,2-4H3,(H,10,11);1H2,2H3,(H,5,6).
What are the key properties of N-(2-amino-2-methylpropyl)-2-methylprop-2-enamide;2-methylprop-2-enoic acid?
N-(2-amino-2-methylpropyl)-2-methylprop-2-enamide;2-methylprop-2-enoic acid has a molecular weight of 242.32 g/mol, XLogP of 1.06, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-2-methylprop-2-enamide;2-methylprop-2-enoic acid is sourced from PubChem (CID 159640819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).