2-[(2-aminoacetyl)-methylamino]acetic acid;hydrochloride

C5H11ClN2O3 — CID 87629075

IUPAC2-[(2-aminoacetyl)-methylamino]acetic acid;hydrochloride
SMILESCN(CC(=O)O)C(=O)CN.Cl
InChIInChI=1S/C5H10N2O3.ClH/c1-7(3-5(9)10)4(8)2-6;/h2-3,6H2,1H3,(H,9,10);1H
InChIKeyOCLQBDJXIYQFKO-UHFFFAOYSA-N
MW182.61 g/mol
LogP-1.09
Rot. Bonds3

About 2-[(2-aminoacetyl)-methylamino]acetic acid;hydrochloride

2-[(2-aminoacetyl)-methylamino]acetic acid;hydrochloride (PubChem CID 87629075) has the molecular formula C5H11ClN2O3 and a molecular weight of 182.61 g/mol. Its IUPAC name is 2-[(2-aminoacetyl)-methylamino]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[(2-aminoacetyl)-methylamino]acetic acid;hydrochloride
PubChem CID87629075
Molecular FormulaC5H11ClN2O3
Molecular Weight182.61 g/mol
Exact Mass182.05
IUPAC Name2-[(2-aminoacetyl)-methylamino]acetic acid;hydrochloride
SMILESCN(CC(=O)O)C(=O)CN.Cl
InChIInChI=1S/C5H10N2O3.ClH/c1-7(3-5(9)10)4(8)2-6;/h2-3,6H2,1H3,(H,9,10);1H
InChIKeyOCLQBDJXIYQFKO-UHFFFAOYSA-N
XLogP-1.09
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminoacetyl)-methylamino]acetic acid;hydrochloride?
The IUPAC name of 2-[(2-aminoacetyl)-methylamino]acetic acid;hydrochloride (CID 87629075) is 2-[(2-aminoacetyl)-methylamino]acetic acid;hydrochloride.
What is the SMILES notation for 2-[(2-aminoacetyl)-methylamino]acetic acid;hydrochloride?
The canonical SMILES for 2-[(2-aminoacetyl)-methylamino]acetic acid;hydrochloride is CN(CC(=O)O)C(=O)CN.Cl.
What is the InChIKey of 2-[(2-aminoacetyl)-methylamino]acetic acid;hydrochloride?
The InChIKey is OCLQBDJXIYQFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O3.ClH/c1-7(3-5(9)10)4(8)2-6;/h2-3,6H2,1H3,(H,9,10);1H.
What are the key properties of 2-[(2-aminoacetyl)-methylamino]acetic acid;hydrochloride?
2-[(2-aminoacetyl)-methylamino]acetic acid;hydrochloride has a molecular weight of 182.61 g/mol, XLogP of -1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminoacetyl)-methylamino]acetic acid;hydrochloride is sourced from PubChem (CID 87629075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).