2-aminoacetic acid;ethanamine

C6H19N3O2 — CID 162171079

IUPAC2-aminoacetic acid;ethanamine
SMILESCCN.CCN.NCC(=O)O
InChIInChI=1S/C2H5NO2.2C2H7N/c3-1-2(4)5;2*1-2-3/h1,3H2,(H,4,5);2*2-3H2,1H3
InChIKeyZNUJFFGDCAIVNS-UHFFFAOYSA-N
MW165.24 g/mol
LogP-1.04
Rot. Bonds1

About 2-aminoacetic acid;ethanamine

2-aminoacetic acid;ethanamine (PubChem CID 162171079) has the molecular formula C6H19N3O2 and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-aminoacetic acid;ethanamine.

Molecular Properties

Compound Name2-aminoacetic acid;ethanamine
PubChem CID162171079
Molecular FormulaC6H19N3O2
Molecular Weight165.24 g/mol
Exact Mass165.15
IUPAC Name2-aminoacetic acid;ethanamine
SMILESCCN.CCN.NCC(=O)O
InChIInChI=1S/C2H5NO2.2C2H7N/c3-1-2(4)5;2*1-2-3/h1,3H2,(H,4,5);2*2-3H2,1H3
InChIKeyZNUJFFGDCAIVNS-UHFFFAOYSA-N
XLogP-1.04
TPSA115.36 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 5-1.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;ethanamine?
The IUPAC name of 2-aminoacetic acid;ethanamine (CID 162171079) is 2-aminoacetic acid;ethanamine.
What is the SMILES notation for 2-aminoacetic acid;ethanamine?
The canonical SMILES for 2-aminoacetic acid;ethanamine is CCN.CCN.NCC(=O)O.
What is the InChIKey of 2-aminoacetic acid;ethanamine?
The InChIKey is ZNUJFFGDCAIVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO2.2C2H7N/c3-1-2(4)5;2*1-2-3/h1,3H2,(H,4,5);2*2-3H2,1H3.
What are the key properties of 2-aminoacetic acid;ethanamine?
2-aminoacetic acid;ethanamine has a molecular weight of 165.24 g/mol, XLogP of -1.04, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;ethanamine is sourced from PubChem (CID 162171079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).