5-(2,3-dihydro-1H-inden-5-yl)-4-methylpyrrolidine-2-carboxylic acid

C15H19NO2 — CID 82384952

IUPAC5-(2,3-dihydro-1H-inden-5-yl)-4-methylpyrrolidine-2-carboxylic acid
SMILESCC1CC(C(=O)O)NC1c1ccc2c(c1)CCC2
InChIInChI=1S/C15H19NO2/c1-9-7-13(15(17)18)16-14(9)12-6-5-10-3-2-4-11(10)8-12/h5-6,8-9,13-14,16H,2-4,7H2,1H3,(H,17,18)
InChIKeyMMPKEDDAEPGUDQ-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.30
Rot. Bonds2

About 5-(2,3-dihydro-1H-inden-5-yl)-4-methylpyrrolidine-2-carboxylic acid

5-(2,3-dihydro-1H-inden-5-yl)-4-methylpyrrolidine-2-carboxylic acid (PubChem CID 82384952) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-inden-5-yl)-4-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-inden-5-yl)-4-methylpyrrolidine-2-carboxylic acid
PubChem CID82384952
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name5-(2,3-dihydro-1H-inden-5-yl)-4-methylpyrrolidine-2-carboxylic acid
SMILESCC1CC(C(=O)O)NC1c1ccc2c(c1)CCC2
InChIInChI=1S/C15H19NO2/c1-9-7-13(15(17)18)16-14(9)12-6-5-10-3-2-4-11(10)8-12/h5-6,8-9,13-14,16H,2-4,7H2,1H3,(H,17,18)
InChIKeyMMPKEDDAEPGUDQ-UHFFFAOYSA-N
XLogP2.30
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,5S,6S)-5-methyl-6-[4-(2-phenylethynyl)phenyl]piperidine-2-carboxylic acid
CID 16758574
2-(2,3-dihydro-1H-inden-5-yl)-1-(2-methylcyclopropyl)ethanone
CID 65420155
4-(2,3-dihydro-1H-inden-5-yl)-1-methylimidazolidin-2-one
CID 116980815
(4R)-5-hydroxy-4-methylpyrrolidine-2-carboxylic acid
CID 143979707
2-[4-(2,3-dihydro-1H-inden-5-yl)-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 82306781
4-methylazetidine-2-carboxylic acid;1,4-xylene
CID 175179759
1-(2,3-dihydro-1H-indene-5-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102775363
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-4-methylcyclohexane-1-carboxylic acid
CID 63531678
N-(2,3-dihydro-1H-inden-5-yl)-N-methylcarbamoyl chloride
CID 115194463
5-(2,3-dihydro-1H-inden-5-yl)-1,3-diazinane-2,4,6-trione
CID 70201313
3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66030527
cis-(1R,3S)-3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 106320641

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-inden-5-yl)-4-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 5-(2,3-dihydro-1H-inden-5-yl)-4-methylpyrrolidine-2-carboxylic acid (CID 82384952) is 5-(2,3-dihydro-1H-inden-5-yl)-4-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 5-(2,3-dihydro-1H-inden-5-yl)-4-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 5-(2,3-dihydro-1H-inden-5-yl)-4-methylpyrrolidine-2-carboxylic acid is CC1CC(C(=O)O)NC1c1ccc2c(c1)CCC2.
What is the InChIKey of 5-(2,3-dihydro-1H-inden-5-yl)-4-methylpyrrolidine-2-carboxylic acid?
The InChIKey is MMPKEDDAEPGUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-9-7-13(15(17)18)16-14(9)12-6-5-10-3-2-4-11(10)8-12/h5-6,8-9,13-14,16H,2-4,7H2,1H3,(H,17,18).
What are the key properties of 5-(2,3-dihydro-1H-inden-5-yl)-4-methylpyrrolidine-2-carboxylic acid?
5-(2,3-dihydro-1H-inden-5-yl)-4-methylpyrrolidine-2-carboxylic acid has a molecular weight of 245.32 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-inden-5-yl)-4-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 82384952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).