[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate

C24H28FNO3 — CID 7824908

IUPAC[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
SMILESC[C@H](CCc1ccccc1)NC(=O)COC(=O)C1(c2cccc(F)c2)CCCC1
InChIInChI=1S/C24H28FNO3/c1-18(12-13-19-8-3-2-4-9-19)26-22(27)17-29-23(28)24(14-5-6-15-24)20-10-7-11-21(25)16-20/h2-4,7-11,16,18H,5-6,12-15,17H2,1H3,(H,26,27)/t18-/m1/s1
InChIKeyBOPMLQRXVJNUMG-GOSISDBHSA-N
MW397.49 g/mol
LogP4.32
Rot. Bonds8

About [2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate

[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate (PubChem CID 7824908) has the molecular formula C24H28FNO3 and a molecular weight of 397.49 g/mol. Its IUPAC name is [2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
PubChem CID7824908
Molecular FormulaC24H28FNO3
Molecular Weight397.49 g/mol
Exact Mass397.21
IUPAC Name[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
SMILESC[C@H](CCc1ccccc1)NC(=O)COC(=O)C1(c2cccc(F)c2)CCCC1
InChIInChI=1S/C24H28FNO3/c1-18(12-13-19-8-3-2-4-9-19)26-22(27)17-29-23(28)24(14-5-6-15-24)20-10-7-11-21(25)16-20/h2-4,7-11,16,18H,5-6,12-15,17H2,1H3,(H,26,27)/t18-/m1/s1
InChIKeyBOPMLQRXVJNUMG-GOSISDBHSA-N
XLogP4.32
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate?
The IUPAC name of [2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate (CID 7824908) is [2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for [2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for [2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate is C[C@H](CCc1ccccc1)NC(=O)COC(=O)C1(c2cccc(F)c2)CCCC1.
What is the InChIKey of [2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate?
The InChIKey is BOPMLQRXVJNUMG-GOSISDBHSA-N. The full InChI is InChI=1S/C24H28FNO3/c1-18(12-13-19-8-3-2-4-9-19)26-22(27)17-29-23(28)24(14-5-6-15-24)20-10-7-11-21(25)16-20/h2-4,7-11,16,18H,5-6,12-15,17H2,1H3,(H,26,27)/t18-/m1/s1.
What are the key properties of [2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate?
[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate has a molecular weight of 397.49 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 7824908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).