[[5-(dimethylamino)-3-oxopentanoyl]amino]methyl-trimethylazanium

C11H24N3O2+ — CID 20663379

IUPAC[[5-(dimethylamino)-3-oxopentanoyl]amino]methyl-trimethylazanium
SMILESCN(C)CCC(=O)CC(=O)NC[N+](C)(C)C
InChIInChI=1S/C11H23N3O2/c1-13(2)7-6-10(15)8-11(16)12-9-14(3,4)5/h6-9H2,1-5H3/p+1
InChIKeyGBTZPBNWFWGSHT-UHFFFAOYSA-O
MW230.33 g/mol
LogP-0.32
Rot. Bonds7

About [[5-(dimethylamino)-3-oxopentanoyl]amino]methyl-trimethylazanium

[[5-(dimethylamino)-3-oxopentanoyl]amino]methyl-trimethylazanium (PubChem CID 20663379) has the molecular formula C11H24N3O2+ and a molecular weight of 230.33 g/mol. Its IUPAC name is [[5-(dimethylamino)-3-oxopentanoyl]amino]methyl-trimethylazanium.

Molecular Properties

Compound Name[[5-(dimethylamino)-3-oxopentanoyl]amino]methyl-trimethylazanium
PubChem CID20663379
Molecular FormulaC11H24N3O2+
Molecular Weight230.33 g/mol
Exact Mass230.19
IUPAC Name[[5-(dimethylamino)-3-oxopentanoyl]amino]methyl-trimethylazanium
SMILESCN(C)CCC(=O)CC(=O)NC[N+](C)(C)C
InChIInChI=1S/C11H23N3O2/c1-13(2)7-6-10(15)8-11(16)12-9-14(3,4)5/h6-9H2,1-5H3/p+1
InChIKeyGBTZPBNWFWGSHT-UHFFFAOYSA-O
XLogP-0.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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 ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

trimethyl-[[[3-oxo-3-[(trimethylazaniumyl)methylamino]propanoyl]amino]methyl]azanium
CID 18730446
[(dimethylamino)methylcarbamoylamino]methyl-trimethylazanium
CID 20663377
3-[methyl((113C)methyl)amino]propanoic acid;hydrochloride
CID 172746252
3-(dimethylamino)-N-(2-ethyl-2-hydroxybutyl)propanamide
CID 79039842
1-(dimethylamino)heptan-3-one
CID 18322699
N-[2-(dimethylamino)ethyl]-4-hydroxybutanamide
CID 79002121
6-(dimethylamino)-3-oxohexanoic acid
CID 174931957
3-(dimethylamino)-N-(3-oxopropyl)propanamide
CID 142174059
1-(dimethylamino)nonan-3-one
CID 115345762
3-(dimethylamino)-N-(2-hydroxy-3-methylbutyl)propanamide
CID 115746120
3-(dimethylamino)-N-ethoxypropanamide
CID 78920148
1-(dimethylamino)-6-methoxyhexan-3-one
CID 114854223

Frequently Asked Questions

What is the IUPAC name of [[5-(dimethylamino)-3-oxopentanoyl]amino]methyl-trimethylazanium?
The IUPAC name of [[5-(dimethylamino)-3-oxopentanoyl]amino]methyl-trimethylazanium (CID 20663379) is [[5-(dimethylamino)-3-oxopentanoyl]amino]methyl-trimethylazanium.
What is the SMILES notation for [[5-(dimethylamino)-3-oxopentanoyl]amino]methyl-trimethylazanium?
The canonical SMILES for [[5-(dimethylamino)-3-oxopentanoyl]amino]methyl-trimethylazanium is CN(C)CCC(=O)CC(=O)NC[N+](C)(C)C.
What is the InChIKey of [[5-(dimethylamino)-3-oxopentanoyl]amino]methyl-trimethylazanium?
The InChIKey is GBTZPBNWFWGSHT-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H23N3O2/c1-13(2)7-6-10(15)8-11(16)12-9-14(3,4)5/h6-9H2,1-5H3/p+1.
What are the key properties of [[5-(dimethylamino)-3-oxopentanoyl]amino]methyl-trimethylazanium?
[[5-(dimethylamino)-3-oxopentanoyl]amino]methyl-trimethylazanium has a molecular weight of 230.33 g/mol, XLogP of -0.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[5-(dimethylamino)-3-oxopentanoyl]amino]methyl-trimethylazanium is sourced from PubChem (CID 20663379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).