[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-fluorobenzoate

C15H18FNO3 — CID 7508641

IUPAC[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-fluorobenzoate
SMILESC[C@H](OC(=O)c1ccccc1F)C(=O)NC1CCCC1
InChIInChI=1S/C15H18FNO3/c1-10(14(18)17-11-6-2-3-7-11)20-15(19)12-8-4-5-9-13(12)16/h4-5,8-11H,2-3,6-7H2,1H3,(H,17,18)/t10-/m0/s1
InChIKeyFHUFQNBZKUBOLT-JTQLQIEISA-N
MW279.31 g/mol
LogP2.43
Rot. Bonds4

About [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-fluorobenzoate

[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-fluorobenzoate (PubChem CID 7508641) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-fluorobenzoate.

Molecular Properties

Compound Name[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-fluorobenzoate
PubChem CID7508641
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Name[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-fluorobenzoate
SMILESC[C@H](OC(=O)c1ccccc1F)C(=O)NC1CCCC1
InChIInChI=1S/C15H18FNO3/c1-10(14(18)17-11-6-2-3-7-11)20-15(19)12-8-4-5-9-13(12)16/h4-5,8-11H,2-3,6-7H2,1H3,(H,17,18)/t10-/m0/s1
InChIKeyFHUFQNBZKUBOLT-JTQLQIEISA-N
XLogP2.43
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-hydroxybenzoate
CID 40730891
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-iodobenzoate
CID 3463336
[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 5-chloro-2-fluorobenzoate
CID 8620496
[1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(methylamino)benzoate
CID 24530551
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 4-bromo-2-fluorobenzoate
CID 9387980
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-phenoxybenzoate
CID 4791857
[1-(cyclohexylamino)-1-oxopropan-2-yl] benzoate
CID 42902121
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2,4-dichloro-5-fluorobenzoate
CID 8651780
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-methylsulfanylpyridine-3-carboxylate
CID 5236107
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-amino-3-methylbenzoate
CID 46815266
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-oxo-1H-pyridine-3-carboxylate
CID 8786214
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2,4-dichloro-5-fluorobenzoate
CID 8651306

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-fluorobenzoate?
The IUPAC name of [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-fluorobenzoate (CID 7508641) is [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-fluorobenzoate.
What is the SMILES notation for [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-fluorobenzoate?
The canonical SMILES for [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-fluorobenzoate is C[C@H](OC(=O)c1ccccc1F)C(=O)NC1CCCC1.
What is the InChIKey of [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-fluorobenzoate?
The InChIKey is FHUFQNBZKUBOLT-JTQLQIEISA-N. The full InChI is InChI=1S/C15H18FNO3/c1-10(14(18)17-11-6-2-3-7-11)20-15(19)12-8-4-5-9-13(12)16/h4-5,8-11H,2-3,6-7H2,1H3,(H,17,18)/t10-/m0/s1.
What are the key properties of [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-fluorobenzoate?
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-fluorobenzoate has a molecular weight of 279.31 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-fluorobenzoate is sourced from PubChem (CID 7508641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).