methyl 3-amino-2-(chloroamino)-2-methylpropanoate;hydrochloride

C5H12Cl2N2O2 — CID 86659087

IUPACmethyl 3-amino-2-(chloroamino)-2-methylpropanoate;hydrochloride
SMILESCOC(=O)C(C)(CN)NCl.Cl
InChIInChI=1S/C5H11ClN2O2.ClH/c1-5(3-7,8-6)4(9)10-2;/h8H,3,7H2,1-2H3;1H
InChIKeySGZLMPLTHAZVAJ-UHFFFAOYSA-N
MW203.07 g/mol
LogP0.04
Rot. Bonds3

About methyl 3-amino-2-(chloroamino)-2-methylpropanoate;hydrochloride

methyl 3-amino-2-(chloroamino)-2-methylpropanoate;hydrochloride (PubChem CID 86659087) has the molecular formula C5H12Cl2N2O2 and a molecular weight of 203.07 g/mol. Its IUPAC name is methyl 3-amino-2-(chloroamino)-2-methylpropanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-amino-2-(chloroamino)-2-methylpropanoate;hydrochloride
PubChem CID86659087
Molecular FormulaC5H12Cl2N2O2
Molecular Weight203.07 g/mol
Exact Mass202.03
IUPAC Namemethyl 3-amino-2-(chloroamino)-2-methylpropanoate;hydrochloride
SMILESCOC(=O)C(C)(CN)NCl.Cl
InChIInChI=1S/C5H11ClN2O2.ClH/c1-5(3-7,8-6)4(9)10-2;/h8H,3,7H2,1-2H3;1H
InChIKeySGZLMPLTHAZVAJ-UHFFFAOYSA-N
XLogP0.04
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.07
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2-(chloroamino)-2-methylpropanoate;hydrochloride?
The IUPAC name of methyl 3-amino-2-(chloroamino)-2-methylpropanoate;hydrochloride (CID 86659087) is methyl 3-amino-2-(chloroamino)-2-methylpropanoate;hydrochloride.
What is the SMILES notation for methyl 3-amino-2-(chloroamino)-2-methylpropanoate;hydrochloride?
The canonical SMILES for methyl 3-amino-2-(chloroamino)-2-methylpropanoate;hydrochloride is COC(=O)C(C)(CN)NCl.Cl.
What is the InChIKey of methyl 3-amino-2-(chloroamino)-2-methylpropanoate;hydrochloride?
The InChIKey is SGZLMPLTHAZVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11ClN2O2.ClH/c1-5(3-7,8-6)4(9)10-2;/h8H,3,7H2,1-2H3;1H.
What are the key properties of methyl 3-amino-2-(chloroamino)-2-methylpropanoate;hydrochloride?
methyl 3-amino-2-(chloroamino)-2-methylpropanoate;hydrochloride has a molecular weight of 203.07 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2-(chloroamino)-2-methylpropanoate;hydrochloride is sourced from PubChem (CID 86659087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).