methyl 2-amino-2-(2,4-dichlorophenyl)acetate

C9H9Cl2NO2 — CID 4030881

IUPACmethyl 2-amino-2-(2,4-dichlorophenyl)acetate
SMILESCOC(=O)C(N)c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H9Cl2NO2/c1-14-9(13)8(12)6-3-2-5(10)4-7(6)11/h2-4,8H,12H2,1H3
InChIKeyQAOMIBWFHLOTTI-UHFFFAOYSA-N
MW234.08 g/mol
LogP2.17
Rot. Bonds2

About methyl 2-amino-2-(2,4-dichlorophenyl)acetate

methyl 2-amino-2-(2,4-dichlorophenyl)acetate (PubChem CID 4030881) has the molecular formula C9H9Cl2NO2 and a molecular weight of 234.08 g/mol. Its IUPAC name is methyl 2-amino-2-(2,4-dichlorophenyl)acetate.

Molecular Properties

Compound Namemethyl 2-amino-2-(2,4-dichlorophenyl)acetate
PubChem CID4030881
Molecular FormulaC9H9Cl2NO2
Molecular Weight234.08 g/mol
Exact Mass233.00
IUPAC Namemethyl 2-amino-2-(2,4-dichlorophenyl)acetate
SMILESCOC(=O)C(N)c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H9Cl2NO2/c1-14-9(13)8(12)6-3-2-5(10)4-7(6)11/h2-4,8H,12H2,1H3
InChIKeyQAOMIBWFHLOTTI-UHFFFAOYSA-N
XLogP2.17
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.08
LogP ≤ 52.17
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-(2,4-dichlorophenyl)acetate?
The IUPAC name of methyl 2-amino-2-(2,4-dichlorophenyl)acetate (CID 4030881) is methyl 2-amino-2-(2,4-dichlorophenyl)acetate.
What is the SMILES notation for methyl 2-amino-2-(2,4-dichlorophenyl)acetate?
The canonical SMILES for methyl 2-amino-2-(2,4-dichlorophenyl)acetate is COC(=O)C(N)c1ccc(Cl)cc1Cl.
What is the InChIKey of methyl 2-amino-2-(2,4-dichlorophenyl)acetate?
The InChIKey is QAOMIBWFHLOTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO2/c1-14-9(13)8(12)6-3-2-5(10)4-7(6)11/h2-4,8H,12H2,1H3.
What are the key properties of methyl 2-amino-2-(2,4-dichlorophenyl)acetate?
methyl 2-amino-2-(2,4-dichlorophenyl)acetate has a molecular weight of 234.08 g/mol, XLogP of 2.17, 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-(2,4-dichlorophenyl)acetate is sourced from PubChem (CID 4030881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).