(2-amino-2-iminoethyl) acetate;hydrochloride

C4H9ClN2O2 — CID 172736358

IUPAC(2-amino-2-iminoethyl) acetate;hydrochloride
SMILESCl.[H]/N=C(\N)COC(C)=O
InChIInChI=1S/C4H8N2O2.ClH/c1-3(7)8-2-4(5)6;/h2H2,1H3,(H3,5,6);1H
InChIKeyIMLYLQBAELBGPJ-UHFFFAOYSA-N
MW152.58 g/mol
LogP-0.09
Rot. Bonds2

About (2-amino-2-iminoethyl) acetate;hydrochloride

(2-amino-2-iminoethyl) acetate;hydrochloride (PubChem CID 172736358) has the molecular formula C4H9ClN2O2 and a molecular weight of 152.58 g/mol. Its IUPAC name is (2-amino-2-iminoethyl) acetate;hydrochloride.

Molecular Properties

Compound Name(2-amino-2-iminoethyl) acetate;hydrochloride
PubChem CID172736358
Molecular FormulaC4H9ClN2O2
Molecular Weight152.58 g/mol
Exact Mass152.04
IUPAC Name(2-amino-2-iminoethyl) acetate;hydrochloride
SMILESCl.[H]/N=C(\N)COC(C)=O
InChIInChI=1S/C4H8N2O2.ClH/c1-3(7)8-2-4(5)6;/h2H2,1H3,(H3,5,6);1H
InChIKeyIMLYLQBAELBGPJ-UHFFFAOYSA-N
XLogP-0.09
TPSA76.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.58
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-amino-2-iminoethyl) acetate;hydrochloride?
The IUPAC name of (2-amino-2-iminoethyl) acetate;hydrochloride (CID 172736358) is (2-amino-2-iminoethyl) acetate;hydrochloride.
What is the SMILES notation for (2-amino-2-iminoethyl) acetate;hydrochloride?
The canonical SMILES for (2-amino-2-iminoethyl) acetate;hydrochloride is Cl.[H]/N=C(\N)COC(C)=O.
What is the InChIKey of (2-amino-2-iminoethyl) acetate;hydrochloride?
The InChIKey is IMLYLQBAELBGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2.ClH/c1-3(7)8-2-4(5)6;/h2H2,1H3,(H3,5,6);1H.
What are the key properties of (2-amino-2-iminoethyl) acetate;hydrochloride?
(2-amino-2-iminoethyl) acetate;hydrochloride has a molecular weight of 152.58 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-iminoethyl) acetate;hydrochloride is sourced from PubChem (CID 172736358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).