methyl 2-amino-2-(3-bromophenyl)acetate;hydrochloride

C9H11BrClNO2 — CID 45158999

IUPACmethyl 2-amino-2-(3-bromophenyl)acetate;hydrochloride
SMILESCOC(=O)C(N)c1cccc(Br)c1.Cl
InChIInChI=1S/C9H10BrNO2.ClH/c1-13-9(12)8(11)6-3-2-4-7(10)5-6;/h2-5,8H,11H2,1H3;1H
InChIKeyUYQXPUQVLSXOMR-UHFFFAOYSA-N
MW280.55 g/mol
LogP2.04
Rot. Bonds2

About methyl 2-amino-2-(3-bromophenyl)acetate;hydrochloride

methyl 2-amino-2-(3-bromophenyl)acetate;hydrochloride (PubChem CID 45158999) has the molecular formula C9H11BrClNO2 and a molecular weight of 280.55 g/mol. Its IUPAC name is methyl 2-amino-2-(3-bromophenyl)acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-amino-2-(3-bromophenyl)acetate;hydrochloride
PubChem CID45158999
Molecular FormulaC9H11BrClNO2
Molecular Weight280.55 g/mol
Exact Mass278.97
IUPAC Namemethyl 2-amino-2-(3-bromophenyl)acetate;hydrochloride
SMILESCOC(=O)C(N)c1cccc(Br)c1.Cl
InChIInChI=1S/C9H10BrNO2.ClH/c1-13-9(12)8(11)6-3-2-4-7(10)5-6;/h2-5,8H,11H2,1H3;1H
InChIKeyUYQXPUQVLSXOMR-UHFFFAOYSA-N
XLogP2.04
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.55
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-(3-bromophenyl)acetate;hydrochloride?
The IUPAC name of methyl 2-amino-2-(3-bromophenyl)acetate;hydrochloride (CID 45158999) is methyl 2-amino-2-(3-bromophenyl)acetate;hydrochloride.
What is the SMILES notation for methyl 2-amino-2-(3-bromophenyl)acetate;hydrochloride?
The canonical SMILES for methyl 2-amino-2-(3-bromophenyl)acetate;hydrochloride is COC(=O)C(N)c1cccc(Br)c1.Cl.
What is the InChIKey of methyl 2-amino-2-(3-bromophenyl)acetate;hydrochloride?
The InChIKey is UYQXPUQVLSXOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2.ClH/c1-13-9(12)8(11)6-3-2-4-7(10)5-6;/h2-5,8H,11H2,1H3;1H.
What are the key properties of methyl 2-amino-2-(3-bromophenyl)acetate;hydrochloride?
methyl 2-amino-2-(3-bromophenyl)acetate;hydrochloride has a molecular weight of 280.55 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-(3-bromophenyl)acetate;hydrochloride is sourced from PubChem (CID 45158999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).