1-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-2-methylpyrrolidine-2-carboxylic acid

C16H20N2O3 — CID 107843053

IUPAC1-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-2-methylpyrrolidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCN1C(=O)NC1Cc2ccccc2C1
InChIInChI=1S/C16H20N2O3/c1-16(14(19)20)7-4-8-18(16)15(21)17-13-9-11-5-2-3-6-12(11)10-13/h2-3,5-6,13H,4,7-10H2,1H3,(H,17,21)(H,19,20)
InChIKeyCUYQRFBCLASONV-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.80
Rot. Bonds2

About 1-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-2-methylpyrrolidine-2-carboxylic acid

1-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-2-methylpyrrolidine-2-carboxylic acid (PubChem CID 107843053) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-2-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-2-methylpyrrolidine-2-carboxylic acid
PubChem CID107843053
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-2-methylpyrrolidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCN1C(=O)NC1Cc2ccccc2C1
InChIInChI=1S/C16H20N2O3/c1-16(14(19)20)7-4-8-18(16)15(21)17-13-9-11-5-2-3-6-12(11)10-13/h2-3,5-6,13H,4,7-10H2,1H3,(H,17,21)(H,19,20)
InChIKeyCUYQRFBCLASONV-UHFFFAOYSA-N
XLogP1.80
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)-2-methylpyrrolidine-2-carboxylic acid
CID 66395509
1-[(2,6-dichlorophenyl)carbamoyl]-2-methylpyrrolidine-2-carboxylic acid
CID 65499998
1-(1,3-dihydroisoindole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104598178
2-methyl-1-[(2-methylphenyl)carbamoyl]piperidine-2-carboxylic acid
CID 104597875
N-(2,3-dihydro-1H-inden-2-yl)-4-methylpiperidine-1-carboxamide
CID 104694688
1-[(2,2-dimethylcyclohexyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104598352
(2S)-2-methyl-1-[(3-nitrophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 96557418
1-[(3-bromo-2-methylphenyl)carbamoyl]-2-methylpyrrolidine-2-carboxylic acid
CID 107627474
1-[(2,3-dimethylcyclohexyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597861
1-[(3-ethynylphenyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597765
1-(2,3-dihydroindole-1-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104597842
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-methylpyrrolidine-2-carboxylic acid
CID 66419546

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-2-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-2-methylpyrrolidine-2-carboxylic acid (CID 107843053) is 1-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-2-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-2-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-2-methylpyrrolidine-2-carboxylic acid is CC1(C(=O)O)CCCN1C(=O)NC1Cc2ccccc2C1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-2-methylpyrrolidine-2-carboxylic acid?
The InChIKey is CUYQRFBCLASONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-16(14(19)20)7-4-8-18(16)15(21)17-13-9-11-5-2-3-6-12(11)10-13/h2-3,5-6,13H,4,7-10H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 1-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-2-methylpyrrolidine-2-carboxylic acid?
1-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-2-methylpyrrolidine-2-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-2-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 107843053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).