2-amino-3-(4-fluorophenyl)-4-hydroxy-1-pyrrolidin-1-ylbutan-1-one

C14H19FN2O2 — CID 163525118

IUPAC2-amino-3-(4-fluorophenyl)-4-hydroxy-1-pyrrolidin-1-ylbutan-1-one
SMILESNC(C(=O)N1CCCC1)C(CO)c1ccc(F)cc1
InChIInChI=1S/C14H19FN2O2/c15-11-5-3-10(4-6-11)12(9-18)13(16)14(19)17-7-1-2-8-17/h3-6,12-13,18H,1-2,7-9,16H2
InChIKeyDOBXHGGSQSPKBY-UHFFFAOYSA-N
MW266.32 g/mol
LogP0.85
Rot. Bonds4

About 2-amino-3-(4-fluorophenyl)-4-hydroxy-1-pyrrolidin-1-ylbutan-1-one

2-amino-3-(4-fluorophenyl)-4-hydroxy-1-pyrrolidin-1-ylbutan-1-one (PubChem CID 163525118) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-amino-3-(4-fluorophenyl)-4-hydroxy-1-pyrrolidin-1-ylbutan-1-one.

Molecular Properties

Compound Name2-amino-3-(4-fluorophenyl)-4-hydroxy-1-pyrrolidin-1-ylbutan-1-one
PubChem CID163525118
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name2-amino-3-(4-fluorophenyl)-4-hydroxy-1-pyrrolidin-1-ylbutan-1-one
SMILESNC(C(=O)N1CCCC1)C(CO)c1ccc(F)cc1
InChIInChI=1S/C14H19FN2O2/c15-11-5-3-10(4-6-11)12(9-18)13(16)14(19)17-7-1-2-8-17/h3-6,12-13,18H,1-2,7-9,16H2
InChIKeyDOBXHGGSQSPKBY-UHFFFAOYSA-N
XLogP0.85
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-2-hydroxy-1-pyrrolidin-1-ylethanone
CID 82127986
3-amino-3-(4-fluorophenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 82083612
4-(4-fluorophenyl)-2-pyrrolidin-1-ylhex-1-en-3-amine
CID 89160583
3-(4-fluorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one
CID 143845941
2-amino-3-(4-fluorophenyl)-3-hydroxy-1-(4-methylpiperidin-1-yl)propan-1-one
CID 67501926
[1-(azepan-1-yl)-3-(4-fluorophenyl)-3-hydroxy-1-oxopropan-2-yl] carbamate
CID 140542866
acetonitrile;(2S)-2-amino-3-(4-fluorophenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 142904143
(2-oxo-2-pyrrolidin-1-ylethyl) 4-fluorobenzoate
CID 2371316
(2R,3S)-2-amino-3-(4-chlorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one
CID 24759914
1-(azepan-1-yl)-2-[1-(4-fluorophenyl)ethylamino]propan-1-one
CID 60676626
2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-piperidin-1-ylethanone
CID 81347710
2-amino-3-hydroxy-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 23572000

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-fluorophenyl)-4-hydroxy-1-pyrrolidin-1-ylbutan-1-one?
The IUPAC name of 2-amino-3-(4-fluorophenyl)-4-hydroxy-1-pyrrolidin-1-ylbutan-1-one (CID 163525118) is 2-amino-3-(4-fluorophenyl)-4-hydroxy-1-pyrrolidin-1-ylbutan-1-one.
What is the SMILES notation for 2-amino-3-(4-fluorophenyl)-4-hydroxy-1-pyrrolidin-1-ylbutan-1-one?
The canonical SMILES for 2-amino-3-(4-fluorophenyl)-4-hydroxy-1-pyrrolidin-1-ylbutan-1-one is NC(C(=O)N1CCCC1)C(CO)c1ccc(F)cc1.
What is the InChIKey of 2-amino-3-(4-fluorophenyl)-4-hydroxy-1-pyrrolidin-1-ylbutan-1-one?
The InChIKey is DOBXHGGSQSPKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c15-11-5-3-10(4-6-11)12(9-18)13(16)14(19)17-7-1-2-8-17/h3-6,12-13,18H,1-2,7-9,16H2.
What are the key properties of 2-amino-3-(4-fluorophenyl)-4-hydroxy-1-pyrrolidin-1-ylbutan-1-one?
2-amino-3-(4-fluorophenyl)-4-hydroxy-1-pyrrolidin-1-ylbutan-1-one has a molecular weight of 266.32 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-fluorophenyl)-4-hydroxy-1-pyrrolidin-1-ylbutan-1-one is sourced from PubChem (CID 163525118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).