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

C13H15NO2 — CID 12616752

IUPAC3-(1H-indol-3-yl)pentanoic acid
SMILESCCC(CC(=O)O)c1c[nH]c2ccccc12
InChIInChI=1S/C13H15NO2/c1-2-9(7-13(15)16)11-8-14-12-6-4-3-5-10(11)12/h3-6,8-9,14H,2,7H2,1H3,(H,15,16)
InChIKeyDDNYTSDLVZRUDW-UHFFFAOYSA-N
MW217.27 g/mol
LogP3.14
Rot. Bonds4

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

3-(1H-indol-3-yl)pentanoic acid (PubChem CID 12616752) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)pentanoic acid.

Molecular Properties

Compound Name3-(1H-indol-3-yl)pentanoic acid
PubChem CID12616752
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name3-(1H-indol-3-yl)pentanoic acid
SMILESCCC(CC(=O)O)c1c[nH]c2ccccc12
InChIInChI=1S/C13H15NO2/c1-2-9(7-13(15)16)11-8-14-12-6-4-3-5-10(11)12/h3-6,8-9,14H,2,7H2,1H3,(H,15,16)
InChIKeyDDNYTSDLVZRUDW-UHFFFAOYSA-N
XLogP3.14
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3-(1H-indol-3-yl)pentanoic acid
CID 7446864
5-fluoro-3-(1H-indol-3-yl)pentanoic acid
CID 175501351
5-bromo-6-chloro-3-(1H-indol-3-yl)octanoic acid
CID 67285080
2-(1H-indol-3-yl)butanedioic acid
CID 588708
4-(1H-indol-3-yl)-2-methylhexan-1-ol
CID 174277465
CID 178029923
CID 178029923
5-(1H-indol-3-yl)heptan-1-ol
CID 141488119
3-(4-fluorophenyl)-3-(1H-indol-3-yl)propanoic acid
CID 3550541
(3R)-3-(1H-indol-3-yl)-N-[(3R)-oxan-3-yl]pentanamide
CID 51497863
2-(1H-indol-3-yl)-N,N-dimethylbutanamide
CID 166107005
2-[1H-indol-3-yl(methylamino)methyl]butanoic acid
CID 116959705
2-[dimethylamino(1H-indol-3-yl)methyl]butanoic acid
CID 116913114

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)pentanoic acid?
The IUPAC name of 3-(1H-indol-3-yl)pentanoic acid (CID 12616752) is 3-(1H-indol-3-yl)pentanoic acid.
What is the SMILES notation for 3-(1H-indol-3-yl)pentanoic acid?
The canonical SMILES for 3-(1H-indol-3-yl)pentanoic acid is CCC(CC(=O)O)c1c[nH]c2ccccc12.
What is the InChIKey of 3-(1H-indol-3-yl)pentanoic acid?
The InChIKey is DDNYTSDLVZRUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-2-9(7-13(15)16)11-8-14-12-6-4-3-5-10(11)12/h3-6,8-9,14H,2,7H2,1H3,(H,15,16).
What are the key properties of 3-(1H-indol-3-yl)pentanoic acid?
3-(1H-indol-3-yl)pentanoic acid has a molecular weight of 217.27 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)pentanoic acid is sourced from PubChem (CID 12616752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).