[(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxo-3-(4-phenylphenyl)butan-2-yl]azanium

C20H24FN2O+ — CID 91895808

IUPAC[(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxo-3-(4-phenylphenyl)butan-2-yl]azanium
SMILESC[C@@H](c1ccc(-c2ccccc2)cc1)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1
InChIInChI=1S/C20H23FN2O/c1-14(19(22)20(24)23-12-11-18(21)13-23)15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,14,18-19H,11-13,22H2,1H3/p+1/t14-,18-,19-/m0/s1
InChIKeyQONXSNQPCYGCQQ-JVPBZIDWSA-O
MW327.42 g/mol
LogP2.64
Rot. Bonds4

About [(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxo-3-(4-phenylphenyl)butan-2-yl]azanium

[(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxo-3-(4-phenylphenyl)butan-2-yl]azanium (PubChem CID 91895808) has the molecular formula C20H24FN2O+ and a molecular weight of 327.42 g/mol. Its IUPAC name is [(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxo-3-(4-phenylphenyl)butan-2-yl]azanium.

Molecular Properties

Compound Name[(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxo-3-(4-phenylphenyl)butan-2-yl]azanium
PubChem CID91895808
Molecular FormulaC20H24FN2O+
Molecular Weight327.42 g/mol
Exact Mass327.19
IUPAC Name[(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxo-3-(4-phenylphenyl)butan-2-yl]azanium
SMILESC[C@@H](c1ccc(-c2ccccc2)cc1)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1
InChIInChI=1S/C20H23FN2O/c1-14(19(22)20(24)23-12-11-18(21)13-23)15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,14,18-19H,11-13,22H2,1H3/p+1/t14-,18-,19-/m0/s1
InChIKeyQONXSNQPCYGCQQ-JVPBZIDWSA-O
XLogP2.64
TPSA47.95 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxo-3-(4-phenylphenyl)butan-2-yl]azanium?
The IUPAC name of [(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxo-3-(4-phenylphenyl)butan-2-yl]azanium (CID 91895808) is [(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxo-3-(4-phenylphenyl)butan-2-yl]azanium.
What is the SMILES notation for [(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxo-3-(4-phenylphenyl)butan-2-yl]azanium?
The canonical SMILES for [(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxo-3-(4-phenylphenyl)butan-2-yl]azanium is C[C@@H](c1ccc(-c2ccccc2)cc1)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1.
What is the InChIKey of [(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxo-3-(4-phenylphenyl)butan-2-yl]azanium?
The InChIKey is QONXSNQPCYGCQQ-JVPBZIDWSA-O. The full InChI is InChI=1S/C20H23FN2O/c1-14(19(22)20(24)23-12-11-18(21)13-23)15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,14,18-19H,11-13,22H2,1H3/p+1/t14-,18-,19-/m0/s1.
What are the key properties of [(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxo-3-(4-phenylphenyl)butan-2-yl]azanium?
[(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxo-3-(4-phenylphenyl)butan-2-yl]azanium has a molecular weight of 327.42 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxo-3-(4-phenylphenyl)butan-2-yl]azanium is sourced from PubChem (CID 91895808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).