ethyl 2-(3-chlorophenyl)-2-(cyclopentylamino)acetate

C15H20ClNO2 — CID 54893052

IUPACethyl 2-(3-chlorophenyl)-2-(cyclopentylamino)acetate
SMILESCCOC(=O)C(NC1CCCC1)c1cccc(Cl)c1
InChIInChI=1S/C15H20ClNO2/c1-2-19-15(18)14(17-13-8-3-4-9-13)11-6-5-7-12(16)10-11/h5-7,10,13-14,17H,2-4,8-9H2,1H3
InChIKeyQFBBVVPKTGCDTG-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.48
Rot. Bonds5

About ethyl 2-(3-chlorophenyl)-2-(cyclopentylamino)acetate

ethyl 2-(3-chlorophenyl)-2-(cyclopentylamino)acetate (PubChem CID 54893052) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is ethyl 2-(3-chlorophenyl)-2-(cyclopentylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(3-chlorophenyl)-2-(cyclopentylamino)acetate
PubChem CID54893052
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Nameethyl 2-(3-chlorophenyl)-2-(cyclopentylamino)acetate
SMILESCCOC(=O)C(NC1CCCC1)c1cccc(Cl)c1
InChIInChI=1S/C15H20ClNO2/c1-2-19-15(18)14(17-13-8-3-4-9-13)11-6-5-7-12(16)10-11/h5-7,10,13-14,17H,2-4,8-9H2,1H3
InChIKeyQFBBVVPKTGCDTG-UHFFFAOYSA-N
XLogP3.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(cyclopentylamino)-2-(3,5-dichlorophenyl)acetate
CID 60998051
ethyl 2-(cyclopentylamino)-2-(3-fluorophenyl)acetate
CID 54892911
ethyl 2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetate
CID 81146254
ethyl 2-(cyclohexylamino)-2-(3-methoxyphenyl)acetate
CID 60998192
ethyl 2-(4-chloro-2-fluorophenyl)-2-(cyclohexylamino)acetate
CID 114843746
ethyl 2-(3-chloro-4-fluorophenyl)-2-(cyclopropylamino)acetate
CID 81146015
ethyl 2-(cyclopentylamino)-2-(4-hydroxy-3,5-dimethylphenyl)acetate
CID 60998655
2-(3-chlorophenyl)-2-(cyclopropylamino)acetic acid
CID 43754566
ethyl 2-(4-bromo-3-fluorophenyl)-2-(cyclohexylamino)acetate
CID 81431210
ethyl 3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]cyclohexane-1-carboxylate
CID 104881605
ethyl 2-(cyclopentylamino)-2-thiophen-3-ylacetate
CID 54892913
ethyl 2-(cyclopropylamino)-2-(2,4-dichlorophenyl)acetate
CID 54918547

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-chlorophenyl)-2-(cyclopentylamino)acetate?
The IUPAC name of ethyl 2-(3-chlorophenyl)-2-(cyclopentylamino)acetate (CID 54893052) is ethyl 2-(3-chlorophenyl)-2-(cyclopentylamino)acetate.
What is the SMILES notation for ethyl 2-(3-chlorophenyl)-2-(cyclopentylamino)acetate?
The canonical SMILES for ethyl 2-(3-chlorophenyl)-2-(cyclopentylamino)acetate is CCOC(=O)C(NC1CCCC1)c1cccc(Cl)c1.
What is the InChIKey of ethyl 2-(3-chlorophenyl)-2-(cyclopentylamino)acetate?
The InChIKey is QFBBVVPKTGCDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-2-19-15(18)14(17-13-8-3-4-9-13)11-6-5-7-12(16)10-11/h5-7,10,13-14,17H,2-4,8-9H2,1H3.
What are the key properties of ethyl 2-(3-chlorophenyl)-2-(cyclopentylamino)acetate?
ethyl 2-(3-chlorophenyl)-2-(cyclopentylamino)acetate has a molecular weight of 281.78 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-chlorophenyl)-2-(cyclopentylamino)acetate is sourced from PubChem (CID 54893052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).