5-fluoro-3-(1H-indol-3-yl)pentanoic acid

C13H14FNO2 — CID 175501351

IUPAC5-fluoro-3-(1H-indol-3-yl)pentanoic acid
SMILESO=C(O)CC(CCF)c1c[nH]c2ccccc12
InChIInChI=1S/C13H14FNO2/c14-6-5-9(7-13(16)17)11-8-15-12-4-2-1-3-10(11)12/h1-4,8-9,15H,5-7H2,(H,16,17)
InChIKeyDHWOFKXYBSZVPY-UHFFFAOYSA-N
MW235.26 g/mol
LogP3.09
Rot. Bonds5

About 5-fluoro-3-(1H-indol-3-yl)pentanoic acid

5-fluoro-3-(1H-indol-3-yl)pentanoic acid (PubChem CID 175501351) has the molecular formula C13H14FNO2 and a molecular weight of 235.26 g/mol. Its IUPAC name is 5-fluoro-3-(1H-indol-3-yl)pentanoic acid.

Molecular Properties

Compound Name5-fluoro-3-(1H-indol-3-yl)pentanoic acid
PubChem CID175501351
Molecular FormulaC13H14FNO2
Molecular Weight235.26 g/mol
Exact Mass235.10
IUPAC Name5-fluoro-3-(1H-indol-3-yl)pentanoic acid
SMILESO=C(O)CC(CCF)c1c[nH]c2ccccc12
InChIInChI=1S/C13H14FNO2/c14-6-5-9(7-13(16)17)11-8-15-12-4-2-1-3-10(11)12/h1-4,8-9,15H,5-7H2,(H,16,17)
InChIKeyDHWOFKXYBSZVPY-UHFFFAOYSA-N
XLogP3.09
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3-(1H-indol-3-yl)pentanoic acid
CID 7446864
3-(1H-indol-3-yl)pentanoic acid
CID 12616752
2-(1H-indol-3-yl)butanedioic acid
CID 588708
3-(4-fluorophenyl)-3-(1H-indol-3-yl)propanoic acid
CID 3550541
5-bromo-6-chloro-3-(1H-indol-3-yl)octanoic acid
CID 67285080
4-amino-4-(1H-indol-3-yl)butanoic acid
CID 82614837
8,8-bis(1H-indol-3-yl)octanoic acid
CID 66986806
chloro 3-(1H-indol-3-yl)octanoate
CID 175312008
(3R)-3-(1H-indol-3-yl)-3-(phenylmethoxycarbonylamino)propanoic acid
CID 34177615
3-(5-methyl-1H-indol-3-yl)hexanoic acid
CID 142468464
(2S)-3,3,3-trifluoro-2-(1H-indol-3-yl)propanoic acid
CID 2324682
(3S)-3-azaniumyl-3-(1H-indol-3-yl)propanoate
CID 42553560

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(1H-indol-3-yl)pentanoic acid?
The IUPAC name of 5-fluoro-3-(1H-indol-3-yl)pentanoic acid (CID 175501351) is 5-fluoro-3-(1H-indol-3-yl)pentanoic acid.
What is the SMILES notation for 5-fluoro-3-(1H-indol-3-yl)pentanoic acid?
The canonical SMILES for 5-fluoro-3-(1H-indol-3-yl)pentanoic acid is O=C(O)CC(CCF)c1c[nH]c2ccccc12.
What is the InChIKey of 5-fluoro-3-(1H-indol-3-yl)pentanoic acid?
The InChIKey is DHWOFKXYBSZVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2/c14-6-5-9(7-13(16)17)11-8-15-12-4-2-1-3-10(11)12/h1-4,8-9,15H,5-7H2,(H,16,17).
What are the key properties of 5-fluoro-3-(1H-indol-3-yl)pentanoic acid?
5-fluoro-3-(1H-indol-3-yl)pentanoic acid has a molecular weight of 235.26 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(1H-indol-3-yl)pentanoic acid is sourced from PubChem (CID 175501351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).