3-[1-(cyclobutylmethyl)indol-7-yl]propanoic acid

C16H19NO2 — CID 115106612

IUPAC3-[1-(cyclobutylmethyl)indol-7-yl]propanoic acid
SMILESO=C(O)CCc1cccc2ccn(CC3CCC3)c12
InChIInChI=1S/C16H19NO2/c18-15(19)8-7-13-5-2-6-14-9-10-17(16(13)14)11-12-3-1-4-12/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H,18,19)
InChIKeyFCQBVEIQIGNXLF-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.46
Rot. Bonds5

About 3-[1-(cyclobutylmethyl)indol-7-yl]propanoic acid

3-[1-(cyclobutylmethyl)indol-7-yl]propanoic acid (PubChem CID 115106612) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-[1-(cyclobutylmethyl)indol-7-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(cyclobutylmethyl)indol-7-yl]propanoic acid
PubChem CID115106612
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name3-[1-(cyclobutylmethyl)indol-7-yl]propanoic acid
SMILESO=C(O)CCc1cccc2ccn(CC3CCC3)c12
InChIInChI=1S/C16H19NO2/c18-15(19)8-7-13-5-2-6-14-9-10-17(16(13)14)11-12-3-1-4-12/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H,18,19)
InChIKeyFCQBVEIQIGNXLF-UHFFFAOYSA-N
XLogP3.46
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(cyclopentylmethyl)indol-7-yl]acetic acid
CID 115106599
3-[1-(cyclopropylmethyl)indol-4-yl]propanoic acid
CID 115107009
1-[1-(cyclopentylmethyl)indol-7-yl]propan-2-ol
CID 115106495
2-[1-(cyclopentylmethyl)indol-7-yl]propanoic acid
CID 115106600
2-methyl-3-[1-(oxan-4-ylmethyl)indol-7-yl]propanoic acid
CID 115106617
1-(cyclopentylmethyl)indol-7-amine
CID 114935809
1-[1-(cyclopropylmethyl)indol-7-yl]ethanone
CID 115106582
2-(7-ethylindol-1-yl)acetic acid
CID 28602716
3-[1-(cyclopropylmethyl)indol-3-yl]propanoic acid
CID 63937608
2-(1-benzylindol-7-yl)acetic acid
CID 115107342
4-[1-(cyclobutylmethyl)indol-3-yl]butanoic acid
CID 65458314
1-[1-(cyclobutylmethyl)indol-4-yl]propan-2-one
CID 115106908

Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclobutylmethyl)indol-7-yl]propanoic acid?
The IUPAC name of 3-[1-(cyclobutylmethyl)indol-7-yl]propanoic acid (CID 115106612) is 3-[1-(cyclobutylmethyl)indol-7-yl]propanoic acid.
What is the SMILES notation for 3-[1-(cyclobutylmethyl)indol-7-yl]propanoic acid?
The canonical SMILES for 3-[1-(cyclobutylmethyl)indol-7-yl]propanoic acid is O=C(O)CCc1cccc2ccn(CC3CCC3)c12.
What is the InChIKey of 3-[1-(cyclobutylmethyl)indol-7-yl]propanoic acid?
The InChIKey is FCQBVEIQIGNXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c18-15(19)8-7-13-5-2-6-14-9-10-17(16(13)14)11-12-3-1-4-12/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H,18,19).
What are the key properties of 3-[1-(cyclobutylmethyl)indol-7-yl]propanoic acid?
3-[1-(cyclobutylmethyl)indol-7-yl]propanoic acid has a molecular weight of 257.33 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclobutylmethyl)indol-7-yl]propanoic acid is sourced from PubChem (CID 115106612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).