1-[(2-fluorophenyl)methyl-methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid

C15H19FN2O3 — CID 63149250

IUPAC1-[(2-fluorophenyl)methyl-methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCN(Cc1ccccc1F)C(=O)N1CCC(C)(C(=O)O)C1
InChIInChI=1S/C15H19FN2O3/c1-15(13(19)20)7-8-18(10-15)14(21)17(2)9-11-5-3-4-6-12(11)16/h3-6H,7-10H2,1-2H3,(H,19,20)
InChIKeyHMUXOYJQAZQADU-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.17
Rot. Bonds3

About 1-[(2-fluorophenyl)methyl-methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid

1-[(2-fluorophenyl)methyl-methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 63149250) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl-methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl-methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
PubChem CID63149250
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name1-[(2-fluorophenyl)methyl-methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCN(Cc1ccccc1F)C(=O)N1CCC(C)(C(=O)O)C1
InChIInChI=1S/C15H19FN2O3/c1-15(13(19)20)7-8-18(10-15)14(21)17(2)9-11-5-3-4-6-12(11)16/h3-6H,7-10H2,1-2H3,(H,19,20)
InChIKeyHMUXOYJQAZQADU-UHFFFAOYSA-N
XLogP2.17
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-hydroxyethyl(methyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63149285
3-methyl-1-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]piperidine-3-carboxylic acid
CID 63136798
(3R)-1-[(Z)-3-(2-fluorophenyl)prop-2-enoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 129407779
1-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 63137295
(2-fluorophenyl)methyl-methylcarbamic acid
CID 115171049
1-[[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122093547
4-methyl-1-[methyl(pyridin-4-ylmethyl)carbamoyl]piperidine-4-carboxylic acid
CID 63123824
(3S)-1-[2-(2-bromophenyl)acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124698081
1-(2-bromo-6-fluorobenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 115910022
1-[(2-fluorophenyl)methyl-methylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79377102
N-[(2-fluorophenyl)methyl]-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide
CID 115184122
1-[2-(4-fluorophenyl)acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63143059

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl-methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(2-fluorophenyl)methyl-methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid (CID 63149250) is 1-[(2-fluorophenyl)methyl-methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl-methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(2-fluorophenyl)methyl-methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid is CN(Cc1ccccc1F)C(=O)N1CCC(C)(C(=O)O)C1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl-methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is HMUXOYJQAZQADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-15(13(19)20)7-8-18(10-15)14(21)17(2)9-11-5-3-4-6-12(11)16/h3-6H,7-10H2,1-2H3,(H,19,20).
What are the key properties of 1-[(2-fluorophenyl)methyl-methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
1-[(2-fluorophenyl)methyl-methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 294.33 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl-methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63149250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).