2-[(2-formamido-2-methylpropanoyl)-methylamino]ethyl-trimethylazanium

C11H24N3O2+ — CID 143987297

IUPAC2-[(2-formamido-2-methylpropanoyl)-methylamino]ethyl-trimethylazanium
SMILESCN(CC[N+](C)(C)C)C(=O)C(C)(C)NC=O
InChIInChI=1S/C11H23N3O2/c1-11(2,12-9-15)10(16)13(3)7-8-14(4,5)6/h9H,7-8H2,1-6H3/p+1
InChIKeyNGTGOGMPGGGTED-UHFFFAOYSA-O
MW230.33 g/mol
LogP-0.32
Rot. Bonds6

About 2-[(2-formamido-2-methylpropanoyl)-methylamino]ethyl-trimethylazanium

2-[(2-formamido-2-methylpropanoyl)-methylamino]ethyl-trimethylazanium (PubChem CID 143987297) has the molecular formula C11H24N3O2+ and a molecular weight of 230.33 g/mol. Its IUPAC name is 2-[(2-formamido-2-methylpropanoyl)-methylamino]ethyl-trimethylazanium.

Molecular Properties

Compound Name2-[(2-formamido-2-methylpropanoyl)-methylamino]ethyl-trimethylazanium
PubChem CID143987297
Molecular FormulaC11H24N3O2+
Molecular Weight230.33 g/mol
Exact Mass230.19
IUPAC Name2-[(2-formamido-2-methylpropanoyl)-methylamino]ethyl-trimethylazanium
SMILESCN(CC[N+](C)(C)C)C(=O)C(C)(C)NC=O
InChIInChI=1S/C11H23N3O2/c1-11(2,12-9-15)10(16)13(3)7-8-14(4,5)6/h9H,7-8H2,1-6H3/p+1
InChIKeyNGTGOGMPGGGTED-UHFFFAOYSA-O
XLogP-0.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-formamido-2-methylpropanoyl)-methylamino]ethyl-trimethylazanium?
The IUPAC name of 2-[(2-formamido-2-methylpropanoyl)-methylamino]ethyl-trimethylazanium (CID 143987297) is 2-[(2-formamido-2-methylpropanoyl)-methylamino]ethyl-trimethylazanium.
What is the SMILES notation for 2-[(2-formamido-2-methylpropanoyl)-methylamino]ethyl-trimethylazanium?
The canonical SMILES for 2-[(2-formamido-2-methylpropanoyl)-methylamino]ethyl-trimethylazanium is CN(CC[N+](C)(C)C)C(=O)C(C)(C)NC=O.
What is the InChIKey of 2-[(2-formamido-2-methylpropanoyl)-methylamino]ethyl-trimethylazanium?
The InChIKey is NGTGOGMPGGGTED-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H23N3O2/c1-11(2,12-9-15)10(16)13(3)7-8-14(4,5)6/h9H,7-8H2,1-6H3/p+1.
What are the key properties of 2-[(2-formamido-2-methylpropanoyl)-methylamino]ethyl-trimethylazanium?
2-[(2-formamido-2-methylpropanoyl)-methylamino]ethyl-trimethylazanium has a molecular weight of 230.33 g/mol, XLogP of -0.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-formamido-2-methylpropanoyl)-methylamino]ethyl-trimethylazanium is sourced from PubChem (CID 143987297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).