ethyl 2-amino-3-(2-chlorophenyl)-2-methylpropanoate

C12H16ClNO2 — CID 53441221

IUPACethyl 2-amino-3-(2-chlorophenyl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(N)Cc1ccccc1Cl
InChIInChI=1S/C12H16ClNO2/c1-3-16-11(15)12(2,14)8-9-6-4-5-7-10(9)13/h4-7H,3,8,14H2,1-2H3
InChIKeyOMWQBMUDMLXIGL-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.16
Rot. Bonds4

About ethyl 2-amino-3-(2-chlorophenyl)-2-methylpropanoate

ethyl 2-amino-3-(2-chlorophenyl)-2-methylpropanoate (PubChem CID 53441221) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is ethyl 2-amino-3-(2-chlorophenyl)-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-(2-chlorophenyl)-2-methylpropanoate
PubChem CID53441221
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Nameethyl 2-amino-3-(2-chlorophenyl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(N)Cc1ccccc1Cl
InChIInChI=1S/C12H16ClNO2/c1-3-16-11(15)12(2,14)8-9-6-4-5-7-10(9)13/h4-7H,3,8,14H2,1-2H3
InChIKeyOMWQBMUDMLXIGL-UHFFFAOYSA-N
XLogP2.16
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(2-chlorophenyl)-2-methylpropanoate?
The IUPAC name of ethyl 2-amino-3-(2-chlorophenyl)-2-methylpropanoate (CID 53441221) is ethyl 2-amino-3-(2-chlorophenyl)-2-methylpropanoate.
What is the SMILES notation for ethyl 2-amino-3-(2-chlorophenyl)-2-methylpropanoate?
The canonical SMILES for ethyl 2-amino-3-(2-chlorophenyl)-2-methylpropanoate is CCOC(=O)C(C)(N)Cc1ccccc1Cl.
What is the InChIKey of ethyl 2-amino-3-(2-chlorophenyl)-2-methylpropanoate?
The InChIKey is OMWQBMUDMLXIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-3-16-11(15)12(2,14)8-9-6-4-5-7-10(9)13/h4-7H,3,8,14H2,1-2H3.
What are the key properties of ethyl 2-amino-3-(2-chlorophenyl)-2-methylpropanoate?
ethyl 2-amino-3-(2-chlorophenyl)-2-methylpropanoate has a molecular weight of 241.72 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-(2-chlorophenyl)-2-methylpropanoate is sourced from PubChem (CID 53441221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).