1-[2-(2,3-dihydro-1H-inden-1-yl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid

C18H24N2O3 — CID 122015917

IUPAC1-[2-(2,3-dihydro-1H-inden-1-yl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)NCCC2CCc3ccccc32)C1
InChIInChI=1S/C18H24N2O3/c1-18(16(21)22)9-11-20(12-18)17(23)19-10-8-14-7-6-13-4-2-3-5-15(13)14/h2-5,14H,6-12H2,1H3,(H,19,23)(H,21,22)
InChIKeyGPDYBEKJGAKACG-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.61
Rot. Bonds4

About 1-[2-(2,3-dihydro-1H-inden-1-yl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid

1-[2-(2,3-dihydro-1H-inden-1-yl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 122015917) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1H-inden-1-yl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1H-inden-1-yl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
PubChem CID122015917
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name1-[2-(2,3-dihydro-1H-inden-1-yl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)NCCC2CCc3ccccc32)C1
InChIInChI=1S/C18H24N2O3/c1-18(16(21)22)9-11-20(12-18)17(23)19-10-8-14-7-6-13-4-2-3-5-15(13)14/h2-5,14H,6-12H2,1H3,(H,19,23)(H,21,22)
InChIKeyGPDYBEKJGAKACG-UHFFFAOYSA-N
XLogP2.61
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 114516429
N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-3-(2-oxopyrrolidin-1-yl)azetidine-1-carboxamide
CID 138053388
(3S)-3-methyl-1-[2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetyl]pyrrolidine-3-carboxylic acid
CID 125133836
3-methyl-1-[[(1R,2S)-1-methyl-2-phenylcyclopropyl]methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122015395
3-methyl-1-(2-pyrrolidin-1-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 55166161
3-methyl-1-(1,2,3,4-tetrahydroisoquinoline-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 63144521
(3S)-1-[2-[(1R)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124681473
1-[(2-cyclobutyloxyphenyl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122002784
1-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122003795
1-[2-(methanesulfonamido)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63149485
1-[(4-carboxyphenyl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122019901
1-[(4-ethylphenyl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 106900484

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1H-inden-1-yl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(2,3-dihydro-1H-inden-1-yl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid (CID 122015917) is 1-[2-(2,3-dihydro-1H-inden-1-yl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(2,3-dihydro-1H-inden-1-yl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(2,3-dihydro-1H-inden-1-yl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(C(=O)NCCC2CCc3ccccc32)C1.
What is the InChIKey of 1-[2-(2,3-dihydro-1H-inden-1-yl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is GPDYBEKJGAKACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-18(16(21)22)9-11-20(12-18)17(23)19-10-8-14-7-6-13-4-2-3-5-15(13)14/h2-5,14H,6-12H2,1H3,(H,19,23)(H,21,22).
What are the key properties of 1-[2-(2,3-dihydro-1H-inden-1-yl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
1-[2-(2,3-dihydro-1H-inden-1-yl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 316.40 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1H-inden-1-yl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122015917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).