1-[[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid

C15H19FN2O3 — CID 122015948

IUPAC1-[[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCc1ccc([C@@H](C)NC(=O)N2CCC(C(=O)O)C2)cc1F
InChIInChI=1S/C15H19FN2O3/c1-9-3-4-11(7-13(9)16)10(2)17-15(21)18-6-5-12(8-18)14(19)20/h3-4,7,10,12H,5-6,8H2,1-2H3,(H,17,21)(H,19,20)/t10-,12?/m1/s1
InChIKeyWKZGLPVAWGNKOH-RWANSRKNSA-N
MW294.33 g/mol
LogP2.31
Rot. Bonds3

About 1-[[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid

1-[[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 122015948) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 1-[[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID122015948
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name1-[[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCc1ccc([C@@H](C)NC(=O)N2CCC(C(=O)O)C2)cc1F
InChIInChI=1S/C15H19FN2O3/c1-9-3-4-11(7-13(9)16)10(2)17-15(21)18-6-5-12(8-18)14(19)20/h3-4,7,10,12H,5-6,8H2,1-2H3,(H,17,21)(H,19,20)/t10-,12?/m1/s1
InChIKeyWKZGLPVAWGNKOH-RWANSRKNSA-N
XLogP2.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(4-fluoro-3-methylphenyl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 122005611
1-[[(1S)-1-(4-bromophenyl)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122011943
1-[[(1R)-1-(4-fluoro-3-methylphenyl)ethyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122124004
1-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122006706
1-[1-(4-methoxyphenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 66196818
(3S)-1-[1-(4-methylphenyl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81119655
1-[1-(2-fluoro-4,5-dimethoxyphenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122002189
N-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide
CID 97334282
1-[1-(2-chloro-4-fluorophenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122002832
1-N-[1-(3,4-difluorophenyl)ethyl]-4-N-phenylpiperidine-1,4-dicarboxamide
CID 51275131
1-[[(1R)-1-(2,5-dichlorophenyl)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122010844
1-[[(1R)-1-(4-bromophenyl)ethyl]carbamoyl]piperidine-4-carboxylic acid
CID 122011951

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid (CID 122015948) is 1-[[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid is Cc1ccc([C@@H](C)NC(=O)N2CCC(C(=O)O)C2)cc1F.
What is the InChIKey of 1-[[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is WKZGLPVAWGNKOH-RWANSRKNSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-9-3-4-11(7-13(9)16)10(2)17-15(21)18-6-5-12(8-18)14(19)20/h3-4,7,10,12H,5-6,8H2,1-2H3,(H,17,21)(H,19,20)/t10-,12?/m1/s1.
What are the key properties of 1-[[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid?
1-[[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 294.33 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122015948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).