sodium 2-(ethylamino)-2-oxoethanolate

C4H8NNaO2 — CID 122705106

IUPACsodium 2-(ethylamino)-2-oxoethanolate
SMILESCCNC(=O)C[O-].[Na+]
InChIInChI=1S/C4H8NO2.Na/c1-2-5-4(7)3-6;/h2-3H2,1H3,(H,5,7);/q-1;+1
InChIKeyHEOKPWVAMZWATP-UHFFFAOYSA-N
MW125.10 g/mol
LogP-4.51
Rot. Bonds2

About sodium 2-(ethylamino)-2-oxoethanolate

sodium 2-(ethylamino)-2-oxoethanolate (PubChem CID 122705106) has the molecular formula C4H8NNaO2 and a molecular weight of 125.10 g/mol. Its IUPAC name is sodium 2-(ethylamino)-2-oxoethanolate.

Molecular Properties

Compound Namesodium 2-(ethylamino)-2-oxoethanolate
PubChem CID122705106
Molecular FormulaC4H8NNaO2
Molecular Weight125.10 g/mol
Exact Mass125.05
IUPAC Namesodium 2-(ethylamino)-2-oxoethanolate
SMILESCCNC(=O)C[O-].[Na+]
InChIInChI=1S/C4H8NO2.Na/c1-2-5-4(7)3-6;/h2-3H2,1H3,(H,5,7);/q-1;+1
InChIKeyHEOKPWVAMZWATP-UHFFFAOYSA-N
XLogP-4.51
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.10
LogP ≤ 5-4.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-diethylpropanediamide
CID 4600245
CID 175477494
CID 175477494
CID 59970835
CID 59970835
[2-(ethylamino)-2-oxoethyl]azanium
CID 7128769
acetylene;N-ethylpropanamide
CID 143477358
N-ethyl-2-[2-(ethylamino)-2-oxoethoxy]acetamide
CID 13126647
N,N'-diethylnonanediamide
CID 89048639
2-chloro-N-ethylacetamide;hydrochloride
CID 141251564
N-ethylpropanamide tetrafluoroborate
CID 88753462
N'-ethyl-N-methylpropanediamide;methane
CID 158978281
N-ethyl-N'-(ethylaminomethyl)propanediamide
CID 20685111
N-ethyl-2-(methylamino)acetamide;hydrochloride
CID 18526161

Frequently Asked Questions

What is the IUPAC name of sodium 2-(ethylamino)-2-oxoethanolate?
The IUPAC name of sodium 2-(ethylamino)-2-oxoethanolate (CID 122705106) is sodium 2-(ethylamino)-2-oxoethanolate.
What is the SMILES notation for sodium 2-(ethylamino)-2-oxoethanolate?
The canonical SMILES for sodium 2-(ethylamino)-2-oxoethanolate is CCNC(=O)C[O-].[Na+].
What is the InChIKey of sodium 2-(ethylamino)-2-oxoethanolate?
The InChIKey is HEOKPWVAMZWATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8NO2.Na/c1-2-5-4(7)3-6;/h2-3H2,1H3,(H,5,7);/q-1;+1.
What are the key properties of sodium 2-(ethylamino)-2-oxoethanolate?
sodium 2-(ethylamino)-2-oxoethanolate has a molecular weight of 125.10 g/mol, XLogP of -4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(ethylamino)-2-oxoethanolate is sourced from PubChem (CID 122705106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).