3-(1H-indol-6-yl)propanoic acid

C11H11NO2 — CID 23178857

IUPAC3-(1H-indol-6-yl)propanoic acid
SMILESO=C(O)CCc1ccc2cc[nH]c2c1
InChIInChI=1S/C11H11NO2/c13-11(14)4-2-8-1-3-9-5-6-12-10(9)7-8/h1,3,5-7,12H,2,4H2,(H,13,14)
InChIKeyDJLXISVKYWYKTP-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.19
Rot. Bonds3

About 3-(1H-indol-6-yl)propanoic acid

3-(1H-indol-6-yl)propanoic acid (PubChem CID 23178857) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 3-(1H-indol-6-yl)propanoic acid.

Molecular Properties

Compound Name3-(1H-indol-6-yl)propanoic acid
PubChem CID23178857
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name3-(1H-indol-6-yl)propanoic acid
SMILESO=C(O)CCc1ccc2cc[nH]c2c1
InChIInChI=1S/C11H11NO2/c13-11(14)4-2-8-1-3-9-5-6-12-10(9)7-8/h1,3,5-7,12H,2,4H2,(H,13,14)
InChIKeyDJLXISVKYWYKTP-UHFFFAOYSA-N
XLogP2.19
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-(1H-indol-6-yl)propanimidamide
CID 173254114
3-[4-(1H-indole-5-carbonylamino)phenyl]propanoic acid
CID 75495645
3-(5-chloro-1H-indol-6-yl)propanoic acid
CID 96590312
3-(3H-benzimidazol-5-yl)propanoic acid;hydrochloride
CID 132889297
3-(1H-indol-6-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 71840750
6-[2-(3,4-difluorophenyl)ethyl]-1H-indole
CID 175599015
6-(bromomethyl)-1H-indole
CID 22062878
N-[(2,5-difluorophenyl)methyl]-3-(1H-indol-6-yl)propanamide
CID 71840774
3-[4-cycloheptyloxy-3-(1H-indol-5-yl)phenyl]propanoic acid
CID 22558657
3-(6-ethylnaphthalen-2-yl)propanoic acid
CID 144687708
N-benzyl-2-(1H-indol-6-yl)acetamide
CID 54366810
3-(3-methyl-1H-indol-6-yl)propanoic acid
CID 117205078

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-6-yl)propanoic acid?
The IUPAC name of 3-(1H-indol-6-yl)propanoic acid (CID 23178857) is 3-(1H-indol-6-yl)propanoic acid.
What is the SMILES notation for 3-(1H-indol-6-yl)propanoic acid?
The canonical SMILES for 3-(1H-indol-6-yl)propanoic acid is O=C(O)CCc1ccc2cc[nH]c2c1.
What is the InChIKey of 3-(1H-indol-6-yl)propanoic acid?
The InChIKey is DJLXISVKYWYKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c13-11(14)4-2-8-1-3-9-5-6-12-10(9)7-8/h1,3,5-7,12H,2,4H2,(H,13,14).
What are the key properties of 3-(1H-indol-6-yl)propanoic acid?
3-(1H-indol-6-yl)propanoic acid has a molecular weight of 189.21 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-6-yl)propanoic acid is sourced from PubChem (CID 23178857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).