4-methyl-1-(2-phenylethylcarbamoyl)pyrrolidine-3-carboxylic acid

C15H20N2O3 — CID 63721294

IUPAC4-methyl-1-(2-phenylethylcarbamoyl)pyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)NCCc2ccccc2)CC1C(=O)O
InChIInChI=1S/C15H20N2O3/c1-11-9-17(10-13(11)14(18)19)15(20)16-8-7-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyAVIPOOIWWCSIJB-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.59
Rot. Bonds4

About 4-methyl-1-(2-phenylethylcarbamoyl)pyrrolidine-3-carboxylic acid

4-methyl-1-(2-phenylethylcarbamoyl)pyrrolidine-3-carboxylic acid (PubChem CID 63721294) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-methyl-1-(2-phenylethylcarbamoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(2-phenylethylcarbamoyl)pyrrolidine-3-carboxylic acid
PubChem CID63721294
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name4-methyl-1-(2-phenylethylcarbamoyl)pyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)NCCc2ccccc2)CC1C(=O)O
InChIInChI=1S/C15H20N2O3/c1-11-9-17(10-13(11)14(18)19)15(20)16-8-7-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyAVIPOOIWWCSIJB-UHFFFAOYSA-N
XLogP1.59
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-1-(2-phenylethylcarbamoyl)piperidine-3-carboxylic acid
CID 122121841
4-methyl-1-(2-phenoxyethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63721310
2-[1-(2-phenylethylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116682805
1-(2-aminoethylcarbamoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63720942
1-[(2-fluorophenyl)methylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63719531
4-methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63722185
4-(1-methylpiperidin-4-yl)-1-N-(2-phenylethyl)pyrrolidine-1,3-dicarboxamide
CID 156611174
(3S,4R)-3-(dimethylamino)-N-(2-phenylethyl)-4-propan-2-ylpyrrolidine-1-carboxamide
CID 72857475
1-(2-cyclopentylethylcarbamoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63719557
(3S,4S)-1-[2-(2,2-difluoroethoxy)ethylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 114128611
4-methyl-1-[(2-propylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63721642
(1S,6S)-3,4-dimethyl-6-(2-phenylethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 841445

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-phenylethylcarbamoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 4-methyl-1-(2-phenylethylcarbamoyl)pyrrolidine-3-carboxylic acid (CID 63721294) is 4-methyl-1-(2-phenylethylcarbamoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(2-phenylethylcarbamoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-methyl-1-(2-phenylethylcarbamoyl)pyrrolidine-3-carboxylic acid is CC1CN(C(=O)NCCc2ccccc2)CC1C(=O)O.
What is the InChIKey of 4-methyl-1-(2-phenylethylcarbamoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is AVIPOOIWWCSIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11-9-17(10-13(11)14(18)19)15(20)16-8-7-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 4-methyl-1-(2-phenylethylcarbamoyl)pyrrolidine-3-carboxylic acid?
4-methyl-1-(2-phenylethylcarbamoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-phenylethylcarbamoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63721294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).