(3S,4S,5S)-4-(benzylamino)-5-(fluoromethyl)-3-[(S)-hydroxy(phenyl)methyl]oxolan-2-one

C19H20FNO3 — CID 10860469

IUPAC(3S,4S,5S)-4-(benzylamino)-5-(fluoromethyl)-3-[(S)-hydroxy(phenyl)methyl]oxolan-2-one
SMILESO=C1O[C@H](CF)[C@@H](NCc2ccccc2)[C@H]1[C@H](O)c1ccccc1
InChIInChI=1S/C19H20FNO3/c20-11-15-17(21-12-13-7-3-1-4-8-13)16(19(23)24-15)18(22)14-9-5-2-6-10-14/h1-10,15-18,21-22H,11-12H2/t15-,16+,17-,18-/m1/s1
InChIKeyFZYDVEXIUUZUEQ-XMTFNYHQSA-N
MW329.37 g/mol
LogP2.39
Rot. Bonds6

About (3S,4S,5S)-4-(benzylamino)-5-(fluoromethyl)-3-[(S)-hydroxy(phenyl)methyl]oxolan-2-one

(3S,4S,5S)-4-(benzylamino)-5-(fluoromethyl)-3-[(S)-hydroxy(phenyl)methyl]oxolan-2-one (PubChem CID 10860469) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is (3S,4S,5S)-4-(benzylamino)-5-(fluoromethyl)-3-[(S)-hydroxy(phenyl)methyl]oxolan-2-one.

Molecular Properties

Compound Name(3S,4S,5S)-4-(benzylamino)-5-(fluoromethyl)-3-[(S)-hydroxy(phenyl)methyl]oxolan-2-one
PubChem CID10860469
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name(3S,4S,5S)-4-(benzylamino)-5-(fluoromethyl)-3-[(S)-hydroxy(phenyl)methyl]oxolan-2-one
SMILESO=C1O[C@H](CF)[C@@H](NCc2ccccc2)[C@H]1[C@H](O)c1ccccc1
InChIInChI=1S/C19H20FNO3/c20-11-15-17(21-12-13-7-3-1-4-8-13)16(19(23)24-15)18(22)14-9-5-2-6-10-14/h1-10,15-18,21-22H,11-12H2/t15-,16+,17-,18-/m1/s1
InChIKeyFZYDVEXIUUZUEQ-XMTFNYHQSA-N
XLogP2.39
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S,4S,5S)-4-(benzylamino)-5-(fluoromethyl)-3-[(S)-hydroxy(phenyl)methyl]oxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(4-Fluorophenyl)-2-hydroxyethyl]-4,5-diphenylimidazolidine-2-carboxylic acid
CID 69545173
[(2R)-2-[(4-fluorophenyl)methylamino]butyl] 2-hydroxy-2-phenylacetate
CID 177715001
[(2R)-2-[(3-fluorophenyl)methylamino]butyl] 2-hydroxy-2-phenylacetate
CID 177735938
[(2R)-2-[(2-fluorophenyl)methylamino]butyl] 2-hydroxy-2-phenylacetate
CID 177739915
Methyl 2-[(benzylamino)methyl]-3-hydroxy-3-phenylpropanoate
CID 14022808
methyl 2-[[(1R,2R,3S)-3-hydroxy-2-methyl-1,3-diphenylpropyl]amino]acetate
CID 15263251
propan-2-yl (E,2S,3R)-3-(benzylamino)-2-[hydroxy(phenyl)methyl]hex-4-enoate
CID 15743134
propan-2-yl (E,2R,3R)-3-(benzylamino)-2-[hydroxy(phenyl)methyl]hex-4-enoate
CID 15743135
(3R,5S)-5-phenyl-3-[[(1R)-1-phenylethyl]amino]oxolan-2-one
CID 52936873
(3S,5S)-5-phenyl-3-[[(1S)-1-phenylethyl]amino]oxolan-2-one
CID 53381213
(2R,4S)-4-hydroxy-4-phenyl-2-[[(1R)-1-phenylethyl]amino]butanoic acid
CID 101046827
3-[(3-Hydroxy-3-phenylpropyl)amino]-3-phenylpropanoic acid
CID 129869209

Frequently Asked Questions

What is the IUPAC name of (3S,4S,5S)-4-(benzylamino)-5-(fluoromethyl)-3-[(S)-hydroxy(phenyl)methyl]oxolan-2-one?
The IUPAC name of (3S,4S,5S)-4-(benzylamino)-5-(fluoromethyl)-3-[(S)-hydroxy(phenyl)methyl]oxolan-2-one (CID 10860469) is (3S,4S,5S)-4-(benzylamino)-5-(fluoromethyl)-3-[(S)-hydroxy(phenyl)methyl]oxolan-2-one.
What is the SMILES notation for (3S,4S,5S)-4-(benzylamino)-5-(fluoromethyl)-3-[(S)-hydroxy(phenyl)methyl]oxolan-2-one?
The canonical SMILES for (3S,4S,5S)-4-(benzylamino)-5-(fluoromethyl)-3-[(S)-hydroxy(phenyl)methyl]oxolan-2-one is O=C1O[C@H](CF)[C@@H](NCc2ccccc2)[C@H]1[C@H](O)c1ccccc1.
What is the InChIKey of (3S,4S,5S)-4-(benzylamino)-5-(fluoromethyl)-3-[(S)-hydroxy(phenyl)methyl]oxolan-2-one?
The InChIKey is FZYDVEXIUUZUEQ-XMTFNYHQSA-N. The full InChI is InChI=1S/C19H20FNO3/c20-11-15-17(21-12-13-7-3-1-4-8-13)16(19(23)24-15)18(22)14-9-5-2-6-10-14/h1-10,15-18,21-22H,11-12H2/t15-,16+,17-,18-/m1/s1.
What are the key properties of (3S,4S,5S)-4-(benzylamino)-5-(fluoromethyl)-3-[(S)-hydroxy(phenyl)methyl]oxolan-2-one?
(3S,4S,5S)-4-(benzylamino)-5-(fluoromethyl)-3-[(S)-hydroxy(phenyl)methyl]oxolan-2-one has a molecular weight of 329.37 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5S)-4-(benzylamino)-5-(fluoromethyl)-3-[(S)-hydroxy(phenyl)methyl]oxolan-2-one is sourced from PubChem (CID 10860469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).