[2-(cyclopropylamino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate

C17H20FNO3 — CID 2371758

IUPAC[2-(cyclopropylamino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
SMILESO=C(COC(=O)C1(c2ccc(F)cc2)CCCC1)NC1CC1
InChIInChI=1S/C17H20FNO3/c18-13-5-3-12(4-6-13)17(9-1-2-10-17)16(21)22-11-15(20)19-14-7-8-14/h3-6,14H,1-2,7-11H2,(H,19,20)
InChIKeyDHUBRVPUNNDVDK-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.46
Rot. Bonds5

About [2-(cyclopropylamino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate

[2-(cyclopropylamino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate (PubChem CID 2371758) has the molecular formula C17H20FNO3 and a molecular weight of 305.35 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
PubChem CID2371758
Molecular FormulaC17H20FNO3
Molecular Weight305.35 g/mol
Exact Mass305.14
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
SMILESO=C(COC(=O)C1(c2ccc(F)cc2)CCCC1)NC1CC1
InChIInChI=1S/C17H20FNO3/c18-13-5-3-12(4-6-13)17(9-1-2-10-17)16(21)22-11-15(20)19-14-7-8-14/h3-6,14H,1-2,7-11H2,(H,19,20)
InChIKeyDHUBRVPUNNDVDK-UHFFFAOYSA-N
XLogP2.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Cyclohexylamino)-2-oxoethyl (4-fluorophenyl)acetate
CID 7759347
[2-Oxo-2-(2-phenylethylamino)ethyl] 2-(2-fluorophenyl)acetate
CID 8661334
[2-Oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 8661406
[2-(Cyclopropylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 2344633
[2-Oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 7866208
[2-Oxo-2-(2-phenylethylamino)ethyl] 2-(3-fluorophenyl)acetate
CID 8590507
[2-(Cyclopentylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2544598
2-(Cyclopentylamino)-2-oxoethyl (4-fluorophenyl)acetate
CID 7759290
2-Oxo-2-[(2-phenylethyl)amino]ethyl (4-fluorophenyl)acetate
CID 7759324
Cyclopropanecarboxylic acid, 1-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride
CID 49711
[2-(Cycloheptylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 2344652
[2-(Cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 3511518

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate (CID 2371758) is [2-(cyclopropylamino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate is O=C(COC(=O)C1(c2ccc(F)cc2)CCCC1)NC1CC1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The InChIKey is DHUBRVPUNNDVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO3/c18-13-5-3-12(4-6-13)17(9-1-2-10-17)16(21)22-11-15(20)19-14-7-8-14/h3-6,14H,1-2,7-11H2,(H,19,20).
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
[2-(cyclopropylamino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate has a molecular weight of 305.35 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 2371758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).