5-amino-5-(2-fluoro-4-methoxyphenyl)pentanoic acid

C12H16FNO3 — CID 43561605

IUPAC5-amino-5-(2-fluoro-4-methoxyphenyl)pentanoic acid
SMILESCOc1ccc(C(N)CCCC(=O)O)c(F)c1
InChIInChI=1S/C12H16FNO3/c1-17-8-5-6-9(10(13)7-8)11(14)3-2-4-12(15)16/h5-7,11H,2-4,14H2,1H3,(H,15,16)
InChIKeyRSELXKHENJFVBJ-UHFFFAOYSA-N
MW241.26 g/mol
LogP2.09
Rot. Bonds6

About 5-amino-5-(2-fluoro-4-methoxyphenyl)pentanoic acid

5-amino-5-(2-fluoro-4-methoxyphenyl)pentanoic acid (PubChem CID 43561605) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is 5-amino-5-(2-fluoro-4-methoxyphenyl)pentanoic acid.

Molecular Properties

Compound Name5-amino-5-(2-fluoro-4-methoxyphenyl)pentanoic acid
PubChem CID43561605
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name5-amino-5-(2-fluoro-4-methoxyphenyl)pentanoic acid
SMILESCOc1ccc(C(N)CCCC(=O)O)c(F)c1
InChIInChI=1S/C12H16FNO3/c1-17-8-5-6-9(10(13)7-8)11(14)3-2-4-12(15)16/h5-7,11H,2-4,14H2,1H3,(H,15,16)
InChIKeyRSELXKHENJFVBJ-UHFFFAOYSA-N
XLogP2.09
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-amino-4-(2-fluoro-4-methoxyphenyl)butan-1-ol
CID 171219632
ethyl 6-amino-6-(2-fluoro-4-methoxyphenyl)hexanoate
CID 60861338
(1S)-1-(2-fluoro-4-methoxyphenyl)propane-1,3-diamine
CID 171219591
(5S)-5-amino-5-(2,4-difluorophenyl)pentanoic acid
CID 28931114
4-(2-fluoro-4-methoxyphenyl)-4-hydroxybutanoic acid
CID 43561615
1-(2-fluoro-4-methoxyphenyl)-4-methoxybutan-1-amine
CID 114856693
(1R)-1-(2-fluoro-4-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171200074
1-(2-fluoro-4-methoxyphenyl)heptan-1-amine
CID 81305340
2-amino-2-(2-fluoro-4-methoxyphenyl)ethanol
CID 55272766
(1R)-1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine
CID 171200097
ethyl 3-amino-3-(2-fluoro-4-methoxyphenyl)propanoate
CID 165347738
5-amino-5-(5-bromo-4-fluoro-2-methoxyphenyl)pentanoic acid
CID 103394885

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-(2-fluoro-4-methoxyphenyl)pentanoic acid?
The IUPAC name of 5-amino-5-(2-fluoro-4-methoxyphenyl)pentanoic acid (CID 43561605) is 5-amino-5-(2-fluoro-4-methoxyphenyl)pentanoic acid.
What is the SMILES notation for 5-amino-5-(2-fluoro-4-methoxyphenyl)pentanoic acid?
The canonical SMILES for 5-amino-5-(2-fluoro-4-methoxyphenyl)pentanoic acid is COc1ccc(C(N)CCCC(=O)O)c(F)c1.
What is the InChIKey of 5-amino-5-(2-fluoro-4-methoxyphenyl)pentanoic acid?
The InChIKey is RSELXKHENJFVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3/c1-17-8-5-6-9(10(13)7-8)11(14)3-2-4-12(15)16/h5-7,11H,2-4,14H2,1H3,(H,15,16).
What are the key properties of 5-amino-5-(2-fluoro-4-methoxyphenyl)pentanoic acid?
5-amino-5-(2-fluoro-4-methoxyphenyl)pentanoic acid has a molecular weight of 241.26 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-(2-fluoro-4-methoxyphenyl)pentanoic acid is sourced from PubChem (CID 43561605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).