5-amino-5-(3-bromo-4-fluorophenyl)pentanoic acid

C11H13BrFNO2 — CID 79736889

IUPAC5-amino-5-(3-bromo-4-fluorophenyl)pentanoic acid
SMILESNC(CCCC(=O)O)c1ccc(F)c(Br)c1
InChIInChI=1S/C11H13BrFNO2/c12-8-6-7(4-5-9(8)13)10(14)2-1-3-11(15)16/h4-6,10H,1-3,14H2,(H,15,16)
InChIKeyFVSSNADZKYRPGA-UHFFFAOYSA-N
MW290.13 g/mol
LogP2.84
Rot. Bonds5

About 5-amino-5-(3-bromo-4-fluorophenyl)pentanoic acid

5-amino-5-(3-bromo-4-fluorophenyl)pentanoic acid (PubChem CID 79736889) has the molecular formula C11H13BrFNO2 and a molecular weight of 290.13 g/mol. Its IUPAC name is 5-amino-5-(3-bromo-4-fluorophenyl)pentanoic acid.

Molecular Properties

Compound Name5-amino-5-(3-bromo-4-fluorophenyl)pentanoic acid
PubChem CID79736889
Molecular FormulaC11H13BrFNO2
Molecular Weight290.13 g/mol
Exact Mass289.01
IUPAC Name5-amino-5-(3-bromo-4-fluorophenyl)pentanoic acid
SMILESNC(CCCC(=O)O)c1ccc(F)c(Br)c1
InChIInChI=1S/C11H13BrFNO2/c12-8-6-7(4-5-9(8)13)10(14)2-1-3-11(15)16/h4-6,10H,1-3,14H2,(H,15,16)
InChIKeyFVSSNADZKYRPGA-UHFFFAOYSA-N
XLogP2.84
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.13
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(3-bromo-4-fluorophenyl)butane-1,4-diamine;hydrochloride
CID 171220445
ethyl 4-amino-4-(3-bromo-4-fluorophenyl)butanoate
CID 79735551
3-amino-3-(3-bromo-4-fluorophenyl)propan-1-ol;hydrochloride
CID 170874533
(1S)-1-(3-bromo-4-fluorophenyl)pentan-1-amine
CID 146013246
(1R)-1-(3-bromo-4-fluorophenyl)pentan-1-amine;hydrochloride
CID 171200915
(1R)-1-(3-bromo-4-fluorophenyl)butan-1-amine
CID 79021010
1-(3-bromo-4-fluorophenyl)butan-1-amine
CID 79016413
(1S)-1-(3-bromo-4-fluorophenyl)butan-1-amine
CID 79020953
5-amino-5-(3-bromo-4-fluorophenyl)-3,3-dimethylpentanoic acid
CID 79735686
(1R)-1-(3-bromo-4-fluorophenyl)-4,4,4-trifluorobutan-1-amine
CID 171200921
4-amino-4-(3-bromo-4-fluorophenyl)-2,2-dimethylbutanoic acid
CID 79737356
(1R)-1-(3-bromo-4-fluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171200922

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-(3-bromo-4-fluorophenyl)pentanoic acid?
The IUPAC name of 5-amino-5-(3-bromo-4-fluorophenyl)pentanoic acid (CID 79736889) is 5-amino-5-(3-bromo-4-fluorophenyl)pentanoic acid.
What is the SMILES notation for 5-amino-5-(3-bromo-4-fluorophenyl)pentanoic acid?
The canonical SMILES for 5-amino-5-(3-bromo-4-fluorophenyl)pentanoic acid is NC(CCCC(=O)O)c1ccc(F)c(Br)c1.
What is the InChIKey of 5-amino-5-(3-bromo-4-fluorophenyl)pentanoic acid?
The InChIKey is FVSSNADZKYRPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO2/c12-8-6-7(4-5-9(8)13)10(14)2-1-3-11(15)16/h4-6,10H,1-3,14H2,(H,15,16).
What are the key properties of 5-amino-5-(3-bromo-4-fluorophenyl)pentanoic acid?
5-amino-5-(3-bromo-4-fluorophenyl)pentanoic acid has a molecular weight of 290.13 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-(3-bromo-4-fluorophenyl)pentanoic acid is sourced from PubChem (CID 79736889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).