2-aminoacetate;ethylazanium

C4H12N2O2 — CID 87377737

IUPAC2-aminoacetate;ethylazanium
SMILESCC[NH3+].NCC(=O)[O-]
InChIInChI=1S/C2H5NO2.C2H7N/c3-1-2(4)5;1-2-3/h1,3H2,(H,4,5);2-3H2,1H3
InChIKeyNOAWEQXHZMHMLN-UHFFFAOYSA-N
MW120.15 g/mol
LogP-3.06
Rot. Bonds1

About 2-aminoacetate;ethylazanium

2-aminoacetate;ethylazanium (PubChem CID 87377737) has the molecular formula C4H12N2O2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 2-aminoacetate;ethylazanium.

Molecular Properties

Compound Name2-aminoacetate;ethylazanium
PubChem CID87377737
Molecular FormulaC4H12N2O2
Molecular Weight120.15 g/mol
Exact Mass120.09
IUPAC Name2-aminoacetate;ethylazanium
SMILESCC[NH3+].NCC(=O)[O-]
InChIInChI=1S/C2H5NO2.C2H7N/c3-1-2(4)5;1-2-3/h1,3H2,(H,4,5);2-3H2,1H3
InChIKeyNOAWEQXHZMHMLN-UHFFFAOYSA-N
XLogP-3.06
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 5-3.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-aminoacetate;ethylazanium?
The IUPAC name of 2-aminoacetate;ethylazanium (CID 87377737) is 2-aminoacetate;ethylazanium.
What is the SMILES notation for 2-aminoacetate;ethylazanium?
The canonical SMILES for 2-aminoacetate;ethylazanium is CC[NH3+].NCC(=O)[O-].
What is the InChIKey of 2-aminoacetate;ethylazanium?
The InChIKey is NOAWEQXHZMHMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO2.C2H7N/c3-1-2(4)5;1-2-3/h1,3H2,(H,4,5);2-3H2,1H3.
What are the key properties of 2-aminoacetate;ethylazanium?
2-aminoacetate;ethylazanium has a molecular weight of 120.15 g/mol, XLogP of -3.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetate;ethylazanium is sourced from PubChem (CID 87377737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).