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

C16H21NO2 — CID 117118770

IUPAC2-[1-(cyclopropylmethyl)-2,3-dihydroindol-3-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)C1CN(CC2CC2)c2ccccc21
InChIInChI=1S/C16H21NO2/c1-16(2,15(18)19)13-10-17(9-11-7-8-11)14-6-4-3-5-12(13)14/h3-6,11,13H,7-10H2,1-2H3,(H,18,19)
InChIKeyKVWJMLSLXIPHCE-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.11
Rot. Bonds4

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

2-[1-(cyclopropylmethyl)-2,3-dihydroindol-3-yl]-2-methylpropanoic acid (PubChem CID 117118770) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethyl)-2,3-dihydroindol-3-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[1-(cyclopropylmethyl)-2,3-dihydroindol-3-yl]-2-methylpropanoic acid
PubChem CID117118770
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name2-[1-(cyclopropylmethyl)-2,3-dihydroindol-3-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)C1CN(CC2CC2)c2ccccc21
InChIInChI=1S/C16H21NO2/c1-16(2,15(18)19)13-10-17(9-11-7-8-11)14-6-4-3-5-12(13)14/h3-6,11,13H,7-10H2,1-2H3,(H,18,19)
InChIKeyKVWJMLSLXIPHCE-UHFFFAOYSA-N
XLogP3.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopropylmethyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902942
1-[1-(cyclopentylmethyl)-2,3-dihydroindol-3-yl]propan-2-one
CID 115106375
2-(1-ethyl-5-methyl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid
CID 117201885
2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid
CID 75383641
3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-2,2-dimethylpropanoic acid
CID 79619646
1-[3-(dimethylamino)-3-oxopropyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565332
2-[1-(3,3-dimethylbutyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80578270
2-phenyl-2-(1-phenyl-3,4-dihydro-2H-quinolin-4-yl)propanoic acid
CID 21405675
(2S)-3-[[(7S)-5-(cyclopropylmethyl)-6-oxo-7H-benzo[d][1]benzazepin-7-yl]amino]-2-fluoro-2-methyl-3-oxopropanoic acid
CID 69043616
2-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid
CID 117200003
1-[2-(methylamino)-2-oxoethyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565760
1-[2-(dimethylamino)ethyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565757

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropylmethyl)-2,3-dihydroindol-3-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[1-(cyclopropylmethyl)-2,3-dihydroindol-3-yl]-2-methylpropanoic acid (CID 117118770) is 2-[1-(cyclopropylmethyl)-2,3-dihydroindol-3-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[1-(cyclopropylmethyl)-2,3-dihydroindol-3-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[1-(cyclopropylmethyl)-2,3-dihydroindol-3-yl]-2-methylpropanoic acid is CC(C)(C(=O)O)C1CN(CC2CC2)c2ccccc21.
What is the InChIKey of 2-[1-(cyclopropylmethyl)-2,3-dihydroindol-3-yl]-2-methylpropanoic acid?
The InChIKey is KVWJMLSLXIPHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-16(2,15(18)19)13-10-17(9-11-7-8-11)14-6-4-3-5-12(13)14/h3-6,11,13H,7-10H2,1-2H3,(H,18,19).
What are the key properties of 2-[1-(cyclopropylmethyl)-2,3-dihydroindol-3-yl]-2-methylpropanoic acid?
2-[1-(cyclopropylmethyl)-2,3-dihydroindol-3-yl]-2-methylpropanoic acid has a molecular weight of 259.35 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropylmethyl)-2,3-dihydroindol-3-yl]-2-methylpropanoic acid is sourced from PubChem (CID 117118770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).