sodium 2,2-dimethylpropanoylazanide

C5H10NNaO — CID 141381046

IUPACsodium 2,2-dimethylpropanoylazanide
SMILESCC(C)(C)C([NH-])=O.[Na+]
InChIInChI=1S/C5H11NO.Na/c1-5(2,3)4(6)7;/h1-3H3,(H2,6,7);/q;+1/p-1
InChIKeyIAYYWOCRYXORFG-UHFFFAOYSA-M
MW123.13 g/mol
LogP-1.38
Rot. Bonds

About sodium 2,2-dimethylpropanoylazanide

sodium 2,2-dimethylpropanoylazanide (PubChem CID 141381046) has the molecular formula C5H10NNaO and a molecular weight of 123.13 g/mol. Its IUPAC name is sodium 2,2-dimethylpropanoylazanide.

Molecular Properties

Compound Namesodium 2,2-dimethylpropanoylazanide
PubChem CID141381046
Molecular FormulaC5H10NNaO
Molecular Weight123.13 g/mol
Exact Mass123.07
IUPAC Namesodium 2,2-dimethylpropanoylazanide
SMILESCC(C)(C)C([NH-])=O.[Na+]
InChIInChI=1S/C5H11NO.Na/c1-5(2,3)4(6)7;/h1-3H3,(H2,6,7);/q;+1/p-1
InChIKeyIAYYWOCRYXORFG-UHFFFAOYSA-M
XLogP-1.38
TPSA40.87 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.13
LogP ≤ 5-1.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 173187831
CID 173187831
2,2-dimethylpropanoic acid
CID 87781698
europium;2,2,6,6-tetramethylheptane-3,5-dione
CID 88666463
(2,2-dimethylpropanoate);docosakis(iron(3+));dodecakis(oxygen(2-));dodecahydroxide
CID 139166121
2,2-dimethylpropanoic acid;lanthanum
CID 160817860
(1-azanidyl-2,2-dimethylpropylidene)azanide;bis(rubidium(1+))
CID 143087197
CID 136820032
CID 136820032
tetrakis(2,2-dimethylpropanoic acid);molybdenum
CID 171378141
(2-acetamido-2-methylpropanoyl)azanide;rutherfordium
CID 59913948
iodanium 2,2-dimethylpropanoate
CID 172810367
barium(2+);bis(2,2-dimethylpropanoate)
CID 15120173
2,2-dimethylpropanoic acid;rhenium;chloride
CID 25015528

Frequently Asked Questions

What is the IUPAC name of sodium 2,2-dimethylpropanoylazanide?
The IUPAC name of sodium 2,2-dimethylpropanoylazanide (CID 141381046) is sodium 2,2-dimethylpropanoylazanide.
What is the SMILES notation for sodium 2,2-dimethylpropanoylazanide?
The canonical SMILES for sodium 2,2-dimethylpropanoylazanide is CC(C)(C)C([NH-])=O.[Na+].
What is the InChIKey of sodium 2,2-dimethylpropanoylazanide?
The InChIKey is IAYYWOCRYXORFG-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H11NO.Na/c1-5(2,3)4(6)7;/h1-3H3,(H2,6,7);/q;+1/p-1.
What are the key properties of sodium 2,2-dimethylpropanoylazanide?
sodium 2,2-dimethylpropanoylazanide has a molecular weight of 123.13 g/mol, XLogP of -1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2,2-dimethylpropanoylazanide is sourced from PubChem (CID 141381046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).