methyl (2R)-4-[(2R)-4-(3-fluorophenyl)butan-2-yl]morpholine-2-carboxylate

C16H22FNO3 — CID 98891679

IUPACmethyl (2R)-4-[(2R)-4-(3-fluorophenyl)butan-2-yl]morpholine-2-carboxylate
SMILESCOC(=O)[C@H]1CN([C@H](C)CCc2cccc(F)c2)CCO1
InChIInChI=1S/C16H22FNO3/c1-12(6-7-13-4-3-5-14(17)10-13)18-8-9-21-15(11-18)16(19)20-2/h3-5,10,12,15H,6-9,11H2,1-2H3/t12-,15-/m1/s1
InChIKeyPMZXVQMHVFXCJA-IUODEOHRSA-N
MW295.35 g/mol
LogP2.02
Rot. Bonds5

About methyl (2R)-4-[(2R)-4-(3-fluorophenyl)butan-2-yl]morpholine-2-carboxylate

methyl (2R)-4-[(2R)-4-(3-fluorophenyl)butan-2-yl]morpholine-2-carboxylate (PubChem CID 98891679) has the molecular formula C16H22FNO3 and a molecular weight of 295.35 g/mol. Its IUPAC name is methyl (2R)-4-[(2R)-4-(3-fluorophenyl)butan-2-yl]morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-4-[(2R)-4-(3-fluorophenyl)butan-2-yl]morpholine-2-carboxylate
PubChem CID98891679
Molecular FormulaC16H22FNO3
Molecular Weight295.35 g/mol
Exact Mass295.16
IUPAC Namemethyl (2R)-4-[(2R)-4-(3-fluorophenyl)butan-2-yl]morpholine-2-carboxylate
SMILESCOC(=O)[C@H]1CN([C@H](C)CCc2cccc(F)c2)CCO1
InChIInChI=1S/C16H22FNO3/c1-12(6-7-13-4-3-5-14(17)10-13)18-8-9-21-15(11-18)16(19)20-2/h3-5,10,12,15H,6-9,11H2,1-2H3/t12-,15-/m1/s1
InChIKeyPMZXVQMHVFXCJA-IUODEOHRSA-N
XLogP2.02
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl (2R)-4-[(2R)-4-(3-fluorophenyl)butan-2-yl]morpholine-2-carboxylate 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-(3-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 79657371
methyl 4-(4-aminobutan-2-yl)morpholine-2-carboxylate
CID 115533856
(2R,6R)-4-[(2R)-4-(3-fluorophenyl)butan-2-yl]-6-methylmorpholine-2-carboxamide
CID 98888148
2-[4-[1-(3-fluorophenyl)propan-2-yl]morpholin-2-yl]acetic acid
CID 114834819
(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(2S)-4-(3-fluorophenyl)butan-2-yl]morpholine
CID 129343525
1-[4-[4-(3-fluorophenyl)butan-2-yl]-1,4-diazepan-1-yl]ethanone
CID 75520090
methyl (2S)-4-[(2-bromo-5-fluorophenyl)methyl]morpholine-2-carboxylate
CID 95295840
methyl 4-[[3-(aminomethyl)-5-fluorophenyl]methyl]morpholine-2-carboxylate
CID 115533840
methyl 4-[(4-fluoro-2-methylphenyl)methyl]morpholine-2-carboxylate
CID 115882746
methyl 4-[(2-fluorophenyl)methyl]morpholine-2-carboxylate
CID 78926315
[4-(2-methylpropyl)morpholin-2-yl]methyl 3-(3-fluorophenyl)propanoate
CID 78831870
methyl 4-(4-phenylbutyl)morpholine-2-carboxylate
CID 114334492

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-4-[(2R)-4-(3-fluorophenyl)butan-2-yl]morpholine-2-carboxylate?
The IUPAC name of methyl (2R)-4-[(2R)-4-(3-fluorophenyl)butan-2-yl]morpholine-2-carboxylate (CID 98891679) is methyl (2R)-4-[(2R)-4-(3-fluorophenyl)butan-2-yl]morpholine-2-carboxylate.
What is the SMILES notation for methyl (2R)-4-[(2R)-4-(3-fluorophenyl)butan-2-yl]morpholine-2-carboxylate?
The canonical SMILES for methyl (2R)-4-[(2R)-4-(3-fluorophenyl)butan-2-yl]morpholine-2-carboxylate is COC(=O)[C@H]1CN([C@H](C)CCc2cccc(F)c2)CCO1.
What is the InChIKey of methyl (2R)-4-[(2R)-4-(3-fluorophenyl)butan-2-yl]morpholine-2-carboxylate?
The InChIKey is PMZXVQMHVFXCJA-IUODEOHRSA-N. The full InChI is InChI=1S/C16H22FNO3/c1-12(6-7-13-4-3-5-14(17)10-13)18-8-9-21-15(11-18)16(19)20-2/h3-5,10,12,15H,6-9,11H2,1-2H3/t12-,15-/m1/s1.
What are the key properties of methyl (2R)-4-[(2R)-4-(3-fluorophenyl)butan-2-yl]morpholine-2-carboxylate?
methyl (2R)-4-[(2R)-4-(3-fluorophenyl)butan-2-yl]morpholine-2-carboxylate has a molecular weight of 295.35 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-4-[(2R)-4-(3-fluorophenyl)butan-2-yl]morpholine-2-carboxylate is sourced from PubChem (CID 98891679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).