3-[1-(cyclopropylmethyl)-2,3-dihydroindol-7-yl]-2-methylpropanoic acid

C16H21NO2 — CID 115105719

IUPAC3-[1-(cyclopropylmethyl)-2,3-dihydroindol-7-yl]-2-methylpropanoic acid
SMILESCC(Cc1cccc2c1N(CC1CC1)CC2)C(=O)O
InChIInChI=1S/C16H21NO2/c1-11(16(18)19)9-14-4-2-3-13-7-8-17(15(13)14)10-12-5-6-12/h2-4,11-12H,5-10H2,1H3,(H,18,19)
InChIKeyPECGNHBTJPFBNB-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.72
Rot. Bonds5

About 3-[1-(cyclopropylmethyl)-2,3-dihydroindol-7-yl]-2-methylpropanoic acid

3-[1-(cyclopropylmethyl)-2,3-dihydroindol-7-yl]-2-methylpropanoic acid (PubChem CID 115105719) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-[1-(cyclopropylmethyl)-2,3-dihydroindol-7-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[1-(cyclopropylmethyl)-2,3-dihydroindol-7-yl]-2-methylpropanoic acid
PubChem CID115105719
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name3-[1-(cyclopropylmethyl)-2,3-dihydroindol-7-yl]-2-methylpropanoic acid
SMILESCC(Cc1cccc2c1N(CC1CC1)CC2)C(=O)O
InChIInChI=1S/C16H21NO2/c1-11(16(18)19)9-14-4-2-3-13-7-8-17(15(13)14)10-12-5-6-12/h2-4,11-12H,5-10H2,1H3,(H,18,19)
InChIKeyPECGNHBTJPFBNB-UHFFFAOYSA-N
XLogP2.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclopropylmethyl)-2,3-dihydroindol-7-yl]-2-methylpropanoic acid?
The IUPAC name of 3-[1-(cyclopropylmethyl)-2,3-dihydroindol-7-yl]-2-methylpropanoic acid (CID 115105719) is 3-[1-(cyclopropylmethyl)-2,3-dihydroindol-7-yl]-2-methylpropanoic acid.
What is the SMILES notation for 3-[1-(cyclopropylmethyl)-2,3-dihydroindol-7-yl]-2-methylpropanoic acid?
The canonical SMILES for 3-[1-(cyclopropylmethyl)-2,3-dihydroindol-7-yl]-2-methylpropanoic acid is CC(Cc1cccc2c1N(CC1CC1)CC2)C(=O)O.
What is the InChIKey of 3-[1-(cyclopropylmethyl)-2,3-dihydroindol-7-yl]-2-methylpropanoic acid?
The InChIKey is PECGNHBTJPFBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-11(16(18)19)9-14-4-2-3-13-7-8-17(15(13)14)10-12-5-6-12/h2-4,11-12H,5-10H2,1H3,(H,18,19).
What are the key properties of 3-[1-(cyclopropylmethyl)-2,3-dihydroindol-7-yl]-2-methylpropanoic acid?
3-[1-(cyclopropylmethyl)-2,3-dihydroindol-7-yl]-2-methylpropanoic acid has a molecular weight of 259.35 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclopropylmethyl)-2,3-dihydroindol-7-yl]-2-methylpropanoic acid is sourced from PubChem (CID 115105719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).