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

C11H14ClNO2 — CID 12854202

IUPACethyl 2-(4-amino-3-chlorophenyl)propanoate
SMILESCCOC(=O)C(C)c1ccc(N)c(Cl)c1
InChIInChI=1S/C11H14ClNO2/c1-3-15-11(14)7(2)8-4-5-10(13)9(12)6-8/h4-7H,3,13H2,1-2H3
InChIKeyWPTJMBKBIFEFTA-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.59
Rot. Bonds3

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

ethyl 2-(4-amino-3-chlorophenyl)propanoate (PubChem CID 12854202) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is ethyl 2-(4-amino-3-chlorophenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-(4-amino-3-chlorophenyl)propanoate
PubChem CID12854202
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Nameethyl 2-(4-amino-3-chlorophenyl)propanoate
SMILESCCOC(=O)C(C)c1ccc(N)c(Cl)c1
InChIInChI=1S/C11H14ClNO2/c1-3-15-11(14)7(2)8-4-5-10(13)9(12)6-8/h4-7H,3,13H2,1-2H3
InChIKeyWPTJMBKBIFEFTA-UHFFFAOYSA-N
XLogP2.59
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-amino-3-chlorophenyl)propanoate?
The IUPAC name of ethyl 2-(4-amino-3-chlorophenyl)propanoate (CID 12854202) is ethyl 2-(4-amino-3-chlorophenyl)propanoate.
What is the SMILES notation for ethyl 2-(4-amino-3-chlorophenyl)propanoate?
The canonical SMILES for ethyl 2-(4-amino-3-chlorophenyl)propanoate is CCOC(=O)C(C)c1ccc(N)c(Cl)c1.
What is the InChIKey of ethyl 2-(4-amino-3-chlorophenyl)propanoate?
The InChIKey is WPTJMBKBIFEFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-3-15-11(14)7(2)8-4-5-10(13)9(12)6-8/h4-7H,3,13H2,1-2H3.
What are the key properties of ethyl 2-(4-amino-3-chlorophenyl)propanoate?
ethyl 2-(4-amino-3-chlorophenyl)propanoate has a molecular weight of 227.69 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-amino-3-chlorophenyl)propanoate is sourced from PubChem (CID 12854202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).