(3S)-3-(4-fluorophenyl)-5-morpholin-4-yl-5-oxopentanoic acid

C15H18FNO4 — CID 94710037

IUPAC(3S)-3-(4-fluorophenyl)-5-morpholin-4-yl-5-oxopentanoic acid
SMILESO=C(O)C[C@H](CC(=O)N1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C15H18FNO4/c16-13-3-1-11(2-4-13)12(10-15(19)20)9-14(18)17-5-7-21-8-6-17/h1-4,12H,5-10H2,(H,19,20)/t12-/m0/s1
InChIKeyQGURUHKFQAECGP-LBPRGKRZSA-N
MW295.31 g/mol
LogP1.63
Rot. Bonds5

About (3S)-3-(4-fluorophenyl)-5-morpholin-4-yl-5-oxopentanoic acid

(3S)-3-(4-fluorophenyl)-5-morpholin-4-yl-5-oxopentanoic acid (PubChem CID 94710037) has the molecular formula C15H18FNO4 and a molecular weight of 295.31 g/mol. Its IUPAC name is (3S)-3-(4-fluorophenyl)-5-morpholin-4-yl-5-oxopentanoic acid.

Molecular Properties

Compound Name(3S)-3-(4-fluorophenyl)-5-morpholin-4-yl-5-oxopentanoic acid
PubChem CID94710037
Molecular FormulaC15H18FNO4
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Name(3S)-3-(4-fluorophenyl)-5-morpholin-4-yl-5-oxopentanoic acid
SMILESO=C(O)C[C@H](CC(=O)N1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C15H18FNO4/c16-13-3-1-11(2-4-13)12(10-15(19)20)9-14(18)17-5-7-21-8-6-17/h1-4,12H,5-10H2,(H,19,20)/t12-/m0/s1
InChIKeyQGURUHKFQAECGP-LBPRGKRZSA-N
XLogP1.63
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(4-fluorophenyl)-5-(4-morpholin-4-ylanilino)-5-oxopentanoic acid
CID 100816087
2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-morpholin-4-ylethanone
CID 81348384
3-(4-fluorophenyl)-1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)butan-1-one
CID 55940839
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-fluorophenyl)-5-methylhexan-1-one
CID 110355764
4-morpholin-4-yl-4-oxo-2-phenylbutanoic acid
CID 82133442
(3R)-3-(4-chlorophenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 26317426
3,3-bis(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one
CID 110673887
3-[4-[3-(4-fluorophenyl)butanoyl]piperazin-1-yl]butanoic acid
CID 138038194
3-(4-fluorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one
CID 143845941
2-(4-fluorophenyl)-1-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone
CID 110365721
2-(4-fluorophenyl)sulfonyl-1-morpholin-4-ylethanone
CID 1486407
N-[1-(4-fluorophenyl)-2-methylpropyl]-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 134041911

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-fluorophenyl)-5-morpholin-4-yl-5-oxopentanoic acid?
The IUPAC name of (3S)-3-(4-fluorophenyl)-5-morpholin-4-yl-5-oxopentanoic acid (CID 94710037) is (3S)-3-(4-fluorophenyl)-5-morpholin-4-yl-5-oxopentanoic acid.
What is the SMILES notation for (3S)-3-(4-fluorophenyl)-5-morpholin-4-yl-5-oxopentanoic acid?
The canonical SMILES for (3S)-3-(4-fluorophenyl)-5-morpholin-4-yl-5-oxopentanoic acid is O=C(O)C[C@H](CC(=O)N1CCOCC1)c1ccc(F)cc1.
What is the InChIKey of (3S)-3-(4-fluorophenyl)-5-morpholin-4-yl-5-oxopentanoic acid?
The InChIKey is QGURUHKFQAECGP-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18FNO4/c16-13-3-1-11(2-4-13)12(10-15(19)20)9-14(18)17-5-7-21-8-6-17/h1-4,12H,5-10H2,(H,19,20)/t12-/m0/s1.
What are the key properties of (3S)-3-(4-fluorophenyl)-5-morpholin-4-yl-5-oxopentanoic acid?
(3S)-3-(4-fluorophenyl)-5-morpholin-4-yl-5-oxopentanoic acid has a molecular weight of 295.31 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-fluorophenyl)-5-morpholin-4-yl-5-oxopentanoic acid is sourced from PubChem (CID 94710037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).