(5R)-5-azaniumyl-5-(4-fluorophenyl)pentanoate

C11H14FNO2 — CID 28931111

IUPAC(5R)-5-azaniumyl-5-(4-fluorophenyl)pentanoate
SMILES[NH3+][C@H](CCCC(=O)[O-])c1ccc(F)cc1
InChIInChI=1S/C11H14FNO2/c12-9-6-4-8(5-7-9)10(13)2-1-3-11(14)15/h4-7,10H,1-3,13H2,(H,14,15)/t10-/m1/s1
InChIKeyGHFBIGUYMULAPA-SNVBAGLBSA-N
MW211.24 g/mol
LogP0.03
Rot. Bonds5

About (5R)-5-azaniumyl-5-(4-fluorophenyl)pentanoate

(5R)-5-azaniumyl-5-(4-fluorophenyl)pentanoate (PubChem CID 28931111) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is (5R)-5-azaniumyl-5-(4-fluorophenyl)pentanoate.

Molecular Properties

Compound Name(5R)-5-azaniumyl-5-(4-fluorophenyl)pentanoate
PubChem CID28931111
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name(5R)-5-azaniumyl-5-(4-fluorophenyl)pentanoate
SMILES[NH3+][C@H](CCCC(=O)[O-])c1ccc(F)cc1
InChIInChI=1S/C11H14FNO2/c12-9-6-4-8(5-7-9)10(13)2-1-3-11(14)15/h4-7,10H,1-3,13H2,(H,14,15)/t10-/m1/s1
InChIKeyGHFBIGUYMULAPA-SNVBAGLBSA-N
XLogP0.03
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-5-azaniumyl-5-(4-ethoxyphenyl)pentanoate
CID 28931195
(4S)-4-azaniumyl-4-(4-methylphenyl)butanoate
CID 28744290
(4R)-4-azaniumyl-4-(4-bromophenyl)butanoate
CID 28744428
(4R)-4-azaniumyl-4-(4-chlorophenyl)butanoate
CID 28744424
(5R)-5-azaniumyl-5-(3-bromo-4-methoxyphenyl)pentanoate
CID 29011113
(2S)-2-(4-fluorophenyl)butanedioate
CID 6926195
(2R)-2-(4-fluorophenyl)propanoate
CID 7005039
(3S)-3-azaniumyl-3-(3,5-difluorophenyl)propanoate
CID 7084789
(3S)-3-azaniumyl-3-(2,4-difluorophenyl)propanoate
CID 7015501
[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]azanium
CID 38989030
2-(4-fluorophenyl)sulfanylacetate
CID 4115535
(2S,3S)-3-(4-fluorophenyl)-2,3-dihydroxypropanoate
CID 44629566

Frequently Asked Questions

What is the IUPAC name of (5R)-5-azaniumyl-5-(4-fluorophenyl)pentanoate?
The IUPAC name of (5R)-5-azaniumyl-5-(4-fluorophenyl)pentanoate (CID 28931111) is (5R)-5-azaniumyl-5-(4-fluorophenyl)pentanoate.
What is the SMILES notation for (5R)-5-azaniumyl-5-(4-fluorophenyl)pentanoate?
The canonical SMILES for (5R)-5-azaniumyl-5-(4-fluorophenyl)pentanoate is [NH3+][C@H](CCCC(=O)[O-])c1ccc(F)cc1.
What is the InChIKey of (5R)-5-azaniumyl-5-(4-fluorophenyl)pentanoate?
The InChIKey is GHFBIGUYMULAPA-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14FNO2/c12-9-6-4-8(5-7-9)10(13)2-1-3-11(14)15/h4-7,10H,1-3,13H2,(H,14,15)/t10-/m1/s1.
What are the key properties of (5R)-5-azaniumyl-5-(4-fluorophenyl)pentanoate?
(5R)-5-azaniumyl-5-(4-fluorophenyl)pentanoate has a molecular weight of 211.24 g/mol, XLogP of 0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-azaniumyl-5-(4-fluorophenyl)pentanoate is sourced from PubChem (CID 28931111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).