2-[1-(cyclobutylmethyl)indol-2-yl]propanoic acid

C16H19NO2 — CID 115107128

IUPAC2-[1-(cyclobutylmethyl)indol-2-yl]propanoic acid
SMILESCC(C(=O)O)c1cc2ccccc2n1CC1CCC1
InChIInChI=1S/C16H19NO2/c1-11(16(18)19)15-9-13-7-2-3-8-14(13)17(15)10-12-5-4-6-12/h2-3,7-9,11-12H,4-6,10H2,1H3,(H,18,19)
InChIKeySUHOUFQBWCLAPQ-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.63
Rot. Bonds4

About 2-[1-(cyclobutylmethyl)indol-2-yl]propanoic acid

2-[1-(cyclobutylmethyl)indol-2-yl]propanoic acid (PubChem CID 115107128) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-[1-(cyclobutylmethyl)indol-2-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-(cyclobutylmethyl)indol-2-yl]propanoic acid
PubChem CID115107128
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name2-[1-(cyclobutylmethyl)indol-2-yl]propanoic acid
SMILESCC(C(=O)O)c1cc2ccccc2n1CC1CCC1
InChIInChI=1S/C16H19NO2/c1-11(16(18)19)15-9-13-7-2-3-8-14(13)17(15)10-12-5-4-6-12/h2-3,7-9,11-12H,4-6,10H2,1H3,(H,18,19)
InChIKeySUHOUFQBWCLAPQ-UHFFFAOYSA-N
XLogP3.63
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[1-(cyclopropylmethyl)indol-2-yl]-N-methylpropan-2-amine
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1-(cyclobutylmethyl)-3-methylbenzimidazol-2-one
CID 115761324
9-(cyclobutylmethyl)carbazole
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CID 115543040
2-(1-chloroethyl)-1-(cyclobutylmethyl)benzimidazole
CID 43667459
1-(cyclopropylmethyl)-N-[(3R)-3-hydroxypentyl]indole-2-carboxamide
CID 124851434
1-(cyclobutylmethyl)-2-propylbenzimidazole-4-carboxylic acid
CID 115543043
1-(cyclopropylmethyl)-2-ethenylindole
CID 138503170
3-[(3R)-1-(1-ethylindole-2-carbonyl)piperidin-3-yl]propanoic acid
CID 129414879

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclobutylmethyl)indol-2-yl]propanoic acid?
The IUPAC name of 2-[1-(cyclobutylmethyl)indol-2-yl]propanoic acid (CID 115107128) is 2-[1-(cyclobutylmethyl)indol-2-yl]propanoic acid.
What is the SMILES notation for 2-[1-(cyclobutylmethyl)indol-2-yl]propanoic acid?
The canonical SMILES for 2-[1-(cyclobutylmethyl)indol-2-yl]propanoic acid is CC(C(=O)O)c1cc2ccccc2n1CC1CCC1.
What is the InChIKey of 2-[1-(cyclobutylmethyl)indol-2-yl]propanoic acid?
The InChIKey is SUHOUFQBWCLAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-11(16(18)19)15-9-13-7-2-3-8-14(13)17(15)10-12-5-4-6-12/h2-3,7-9,11-12H,4-6,10H2,1H3,(H,18,19).
What are the key properties of 2-[1-(cyclobutylmethyl)indol-2-yl]propanoic acid?
2-[1-(cyclobutylmethyl)indol-2-yl]propanoic acid has a molecular weight of 257.33 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclobutylmethyl)indol-2-yl]propanoic acid is sourced from PubChem (CID 115107128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).