2-(ethylazaniumyl)acetate

C4H9NO2 — CID 6992079

IUPAC2-(ethylazaniumyl)acetate
SMILESCC[NH2+]CC(=O)[O-]
InChIInChI=1S/C4H9NO2/c1-2-5-3-4(6)7/h5H,2-3H2,1H3,(H,6,7)
InChIKeyYPIGGYHFMKJNKV-UHFFFAOYSA-N
MW103.12 g/mol
LogP-2.68
Rot. Bonds3

About 2-(ethylazaniumyl)acetate

2-(ethylazaniumyl)acetate (PubChem CID 6992079) has the molecular formula C4H9NO2 and a molecular weight of 103.12 g/mol. Its IUPAC name is 2-(ethylazaniumyl)acetate.

Molecular Properties

Compound Name2-(ethylazaniumyl)acetate
PubChem CID6992079
Molecular FormulaC4H9NO2
Molecular Weight103.12 g/mol
Exact Mass103.06
IUPAC Name2-(ethylazaniumyl)acetate
SMILESCC[NH2+]CC(=O)[O-]
InChIInChI=1S/C4H9NO2/c1-2-5-3-4(6)7/h5H,2-3H2,1H3,(H,6,7)
InChIKeyYPIGGYHFMKJNKV-UHFFFAOYSA-N
XLogP-2.68
TPSA56.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.12
LogP ≤ 5-2.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(Methylazaniumyl)acetate
CID 7311726
(Dimethylammonio)acetate
CID 6971056
Sodium Sarcosinate
CID 23667259
Sarcosinate
CID 9543102
N-Ethylglycine
CID 316542
N-methylalanine zwitterion
CID 6971259
N-Isobutylglycine
CID 10261121
Sarcosine methyl ester
CID 83545
Ethyl 2-(ethylamino)acetate
CID 12591597
Iminodiacetate
CID 3344189
((Carboxymethyl)amino)acetate
CID 6995749
Nickel, (N-((carboxy-kappaO)methyl)glycinato(2-)-kappaN,kappaO)-
CID 83782

Frequently Asked Questions

What is the IUPAC name of 2-(ethylazaniumyl)acetate?
The IUPAC name of 2-(ethylazaniumyl)acetate (CID 6992079) is 2-(ethylazaniumyl)acetate.
What is the SMILES notation for 2-(ethylazaniumyl)acetate?
The canonical SMILES for 2-(ethylazaniumyl)acetate is CC[NH2+]CC(=O)[O-].
What is the InChIKey of 2-(ethylazaniumyl)acetate?
The InChIKey is YPIGGYHFMKJNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2/c1-2-5-3-4(6)7/h5H,2-3H2,1H3,(H,6,7).
What are the key properties of 2-(ethylazaniumyl)acetate?
2-(ethylazaniumyl)acetate has a molecular weight of 103.12 g/mol, XLogP of -2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylazaniumyl)acetate is sourced from PubChem (CID 6992079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).