ethyl 2-amino-3-(4-chlorophenyl)propanoate

C11H14ClNO2 — CID 568422

IUPACethyl 2-amino-3-(4-chlorophenyl)propanoate
SMILESCCOC(=O)C(N)Cc1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO2/c1-2-15-11(14)10(13)7-8-3-5-9(12)6-4-8/h3-6,10H,2,7,13H2,1H3
InChIKeyASDQNFHVGOPSDD-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.77
Rot. Bonds4

About ethyl 2-amino-3-(4-chlorophenyl)propanoate

ethyl 2-amino-3-(4-chlorophenyl)propanoate (PubChem CID 568422) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is ethyl 2-amino-3-(4-chlorophenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-(4-chlorophenyl)propanoate
PubChem CID568422
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Nameethyl 2-amino-3-(4-chlorophenyl)propanoate
SMILESCCOC(=O)C(N)Cc1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO2/c1-2-15-11(14)10(13)7-8-3-5-9(12)6-4-8/h3-6,10H,2,7,13H2,1H3
InChIKeyASDQNFHVGOPSDD-UHFFFAOYSA-N
XLogP1.77
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.77
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-(4-chlorophenyl)propanoate?
The IUPAC name of ethyl 2-amino-3-(4-chlorophenyl)propanoate (CID 568422) is ethyl 2-amino-3-(4-chlorophenyl)propanoate.
What is the SMILES notation for ethyl 2-amino-3-(4-chlorophenyl)propanoate?
The canonical SMILES for ethyl 2-amino-3-(4-chlorophenyl)propanoate is CCOC(=O)C(N)Cc1ccc(Cl)cc1.
What is the InChIKey of ethyl 2-amino-3-(4-chlorophenyl)propanoate?
The InChIKey is ASDQNFHVGOPSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-2-15-11(14)10(13)7-8-3-5-9(12)6-4-8/h3-6,10H,2,7,13H2,1H3.
What are the key properties of ethyl 2-amino-3-(4-chlorophenyl)propanoate?
ethyl 2-amino-3-(4-chlorophenyl)propanoate has a molecular weight of 227.69 g/mol, XLogP of 1.77, 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-(4-chlorophenyl)propanoate is sourced from PubChem (CID 568422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).