ethyl 2-[(2-aminoacetyl)amino]acetate;hydrochloride

C6H13ClN2O3 — CID 2827263

IUPACethyl 2-[(2-aminoacetyl)amino]acetate;hydrochloride
SMILESCCOC(=O)CNC(=O)CN.Cl
InChIInChI=1S/C6H12N2O3.ClH/c1-2-11-6(10)4-8-5(9)3-7;/h2-4,7H2,1H3,(H,8,9);1H
InChIKeyDNIFIBGXDGNBHN-UHFFFAOYSA-N
MW196.63 g/mol
LogP-0.95
Rot. Bonds4

About ethyl 2-[(2-aminoacetyl)amino]acetate;hydrochloride

ethyl 2-[(2-aminoacetyl)amino]acetate;hydrochloride (PubChem CID 2827263) has the molecular formula C6H13ClN2O3 and a molecular weight of 196.63 g/mol. Its IUPAC name is ethyl 2-[(2-aminoacetyl)amino]acetate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-[(2-aminoacetyl)amino]acetate;hydrochloride
PubChem CID2827263
Molecular FormulaC6H13ClN2O3
Molecular Weight196.63 g/mol
Exact Mass196.06
IUPAC Nameethyl 2-[(2-aminoacetyl)amino]acetate;hydrochloride
SMILESCCOC(=O)CNC(=O)CN.Cl
InChIInChI=1S/C6H12N2O3.ClH/c1-2-11-6(10)4-8-5(9)3-7;/h2-4,7H2,1H3,(H,8,9);1H
InChIKeyDNIFIBGXDGNBHN-UHFFFAOYSA-N
XLogP-0.95
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.63
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[(2-aminoacetyl)amino]acetate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-aminoacetyl)amino]acetate;hydrochloride?
The IUPAC name of ethyl 2-[(2-aminoacetyl)amino]acetate;hydrochloride (CID 2827263) is ethyl 2-[(2-aminoacetyl)amino]acetate;hydrochloride.
What is the SMILES notation for ethyl 2-[(2-aminoacetyl)amino]acetate;hydrochloride?
The canonical SMILES for ethyl 2-[(2-aminoacetyl)amino]acetate;hydrochloride is CCOC(=O)CNC(=O)CN.Cl.
What is the InChIKey of ethyl 2-[(2-aminoacetyl)amino]acetate;hydrochloride?
The InChIKey is DNIFIBGXDGNBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3.ClH/c1-2-11-6(10)4-8-5(9)3-7;/h2-4,7H2,1H3,(H,8,9);1H.
What are the key properties of ethyl 2-[(2-aminoacetyl)amino]acetate;hydrochloride?
ethyl 2-[(2-aminoacetyl)amino]acetate;hydrochloride has a molecular weight of 196.63 g/mol, XLogP of -0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-aminoacetyl)amino]acetate;hydrochloride is sourced from PubChem (CID 2827263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).