ethyl 2-(4-chlorophenyl)-2-(cyclopropylamino)acetate

C13H16ClNO2 — CID 54918501

IUPACethyl 2-(4-chlorophenyl)-2-(cyclopropylamino)acetate
SMILESCCOC(=O)C(NC1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C13H16ClNO2/c1-2-17-13(16)12(15-11-7-8-11)9-3-5-10(14)6-4-9/h3-6,11-12,15H,2,7-8H2,1H3
InChIKeySSJXGLCMCDFTFC-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.70
Rot. Bonds5

About ethyl 2-(4-chlorophenyl)-2-(cyclopropylamino)acetate

ethyl 2-(4-chlorophenyl)-2-(cyclopropylamino)acetate (PubChem CID 54918501) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is ethyl 2-(4-chlorophenyl)-2-(cyclopropylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(4-chlorophenyl)-2-(cyclopropylamino)acetate
PubChem CID54918501
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Nameethyl 2-(4-chlorophenyl)-2-(cyclopropylamino)acetate
SMILESCCOC(=O)C(NC1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C13H16ClNO2/c1-2-17-13(16)12(15-11-7-8-11)9-3-5-10(14)6-4-9/h3-6,11-12,15H,2,7-8H2,1H3
InChIKeySSJXGLCMCDFTFC-UHFFFAOYSA-N
XLogP2.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chlorophenyl)-2-(cyclopropylamino)acetate?
The IUPAC name of ethyl 2-(4-chlorophenyl)-2-(cyclopropylamino)acetate (CID 54918501) is ethyl 2-(4-chlorophenyl)-2-(cyclopropylamino)acetate.
What is the SMILES notation for ethyl 2-(4-chlorophenyl)-2-(cyclopropylamino)acetate?
The canonical SMILES for ethyl 2-(4-chlorophenyl)-2-(cyclopropylamino)acetate is CCOC(=O)C(NC1CC1)c1ccc(Cl)cc1.
What is the InChIKey of ethyl 2-(4-chlorophenyl)-2-(cyclopropylamino)acetate?
The InChIKey is SSJXGLCMCDFTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-2-17-13(16)12(15-11-7-8-11)9-3-5-10(14)6-4-9/h3-6,11-12,15H,2,7-8H2,1H3.
What are the key properties of ethyl 2-(4-chlorophenyl)-2-(cyclopropylamino)acetate?
ethyl 2-(4-chlorophenyl)-2-(cyclopropylamino)acetate has a molecular weight of 253.73 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-chlorophenyl)-2-(cyclopropylamino)acetate is sourced from PubChem (CID 54918501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).