sodium 2-oxo-2-(propan-2-ylamino)ethanolate

C5H10NNaO2 — CID 122705182

IUPACsodium 2-oxo-2-(propan-2-ylamino)ethanolate
SMILESCC(C)NC(=O)C[O-].[Na+]
InChIInChI=1S/C5H10NO2.Na/c1-4(2)6-5(8)3-7;/h4H,3H2,1-2H3,(H,6,8);/q-1;+1
InChIKeySQUBAEHTKQUZGA-UHFFFAOYSA-N
MW139.13 g/mol
LogP-4.12
Rot. Bonds2

About sodium 2-oxo-2-(propan-2-ylamino)ethanolate

sodium 2-oxo-2-(propan-2-ylamino)ethanolate (PubChem CID 122705182) has the molecular formula C5H10NNaO2 and a molecular weight of 139.13 g/mol. Its IUPAC name is sodium 2-oxo-2-(propan-2-ylamino)ethanolate.

Molecular Properties

Compound Namesodium 2-oxo-2-(propan-2-ylamino)ethanolate
PubChem CID122705182
Molecular FormulaC5H10NNaO2
Molecular Weight139.13 g/mol
Exact Mass139.06
IUPAC Namesodium 2-oxo-2-(propan-2-ylamino)ethanolate
SMILESCC(C)NC(=O)C[O-].[Na+]
InChIInChI=1S/C5H10NO2.Na/c1-4(2)6-5(8)3-7;/h4H,3H2,1-2H3,(H,6,8);/q-1;+1
InChIKeySQUBAEHTKQUZGA-UHFFFAOYSA-N
XLogP-4.12
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.13
LogP ≤ 5-4.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-propan-2-ylpropanamide;dihydrochloride
CID 172679019
4-methyl-3-oxo-N-propan-2-ylpentanamide
CID 59848448
N,N'-di(propan-2-yl)decanediamide
CID 58997511
3,3-difluoro-N-propan-2-ylpropanamide
CID 177328037
ethane;N-propan-2-ylbutanamide
CID 169175258
3-methyl-N-propan-2-ylbut-3-enamide
CID 59532905
3,4-dimethyl-N-propan-2-ylpentanamide
CID 153056975
3-methoxy-3-methyl-N-propan-2-ylbutanamide
CID 103020990
2-[2-[2-oxo-2-(propan-2-ylamino)ethoxy]ethoxy]-N-propan-2-ylacetamide
CID 166950643
[2-oxo-2-(propan-2-ylamino)ethyl]iminotungsten
CID 59296924
N-ethyl-2-methylpropanamide;methane;N-propan-2-ylpropanamide
CID 160804032
N-(4-fluorophenyl)-N'-propan-2-ylpropanediamide
CID 108940880

Frequently Asked Questions

What is the IUPAC name of sodium 2-oxo-2-(propan-2-ylamino)ethanolate?
The IUPAC name of sodium 2-oxo-2-(propan-2-ylamino)ethanolate (CID 122705182) is sodium 2-oxo-2-(propan-2-ylamino)ethanolate.
What is the SMILES notation for sodium 2-oxo-2-(propan-2-ylamino)ethanolate?
The canonical SMILES for sodium 2-oxo-2-(propan-2-ylamino)ethanolate is CC(C)NC(=O)C[O-].[Na+].
What is the InChIKey of sodium 2-oxo-2-(propan-2-ylamino)ethanolate?
The InChIKey is SQUBAEHTKQUZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10NO2.Na/c1-4(2)6-5(8)3-7;/h4H,3H2,1-2H3,(H,6,8);/q-1;+1.
What are the key properties of sodium 2-oxo-2-(propan-2-ylamino)ethanolate?
sodium 2-oxo-2-(propan-2-ylamino)ethanolate has a molecular weight of 139.13 g/mol, XLogP of -4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-oxo-2-(propan-2-ylamino)ethanolate is sourced from PubChem (CID 122705182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).