ethyl 2-amino-3-iminopropanoate;hydrochloride

C5H11ClN2O2 — CID 140883233

IUPACethyl 2-amino-3-iminopropanoate;hydrochloride
SMILESCl.[H]/N=C/C(N)C(=O)OCC
InChIInChI=1S/C5H10N2O2.ClH/c1-2-9-5(8)4(7)3-6;/h3-4,6H,2,7H2,1H3;1H/b6-3+;
InChIKeySBZKYLLZXOAYEZ-ZIKNSQGESA-N
MW166.61 g/mol
LogP-0.05
Rot. Bonds3

About ethyl 2-amino-3-iminopropanoate;hydrochloride

ethyl 2-amino-3-iminopropanoate;hydrochloride (PubChem CID 140883233) has the molecular formula C5H11ClN2O2 and a molecular weight of 166.61 g/mol. Its IUPAC name is ethyl 2-amino-3-iminopropanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-amino-3-iminopropanoate;hydrochloride
PubChem CID140883233
Molecular FormulaC5H11ClN2O2
Molecular Weight166.61 g/mol
Exact Mass166.05
IUPAC Nameethyl 2-amino-3-iminopropanoate;hydrochloride
SMILESCl.[H]/N=C/C(N)C(=O)OCC
InChIInChI=1S/C5H10N2O2.ClH/c1-2-9-5(8)4(7)3-6;/h3-4,6H,2,7H2,1H3;1H/b6-3+;
InChIKeySBZKYLLZXOAYEZ-ZIKNSQGESA-N
XLogP-0.05
TPSA76.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.61
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-iminopropanoate;hydrochloride?
The IUPAC name of ethyl 2-amino-3-iminopropanoate;hydrochloride (CID 140883233) is ethyl 2-amino-3-iminopropanoate;hydrochloride.
What is the SMILES notation for ethyl 2-amino-3-iminopropanoate;hydrochloride?
The canonical SMILES for ethyl 2-amino-3-iminopropanoate;hydrochloride is Cl.[H]/N=C/C(N)C(=O)OCC.
What is the InChIKey of ethyl 2-amino-3-iminopropanoate;hydrochloride?
The InChIKey is SBZKYLLZXOAYEZ-ZIKNSQGESA-N. The full InChI is InChI=1S/C5H10N2O2.ClH/c1-2-9-5(8)4(7)3-6;/h3-4,6H,2,7H2,1H3;1H/b6-3+;.
What are the key properties of ethyl 2-amino-3-iminopropanoate;hydrochloride?
ethyl 2-amino-3-iminopropanoate;hydrochloride has a molecular weight of 166.61 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-iminopropanoate;hydrochloride is sourced from PubChem (CID 140883233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).