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

C15H20N2O4 — CID 63721310

IUPAC4-methyl-1-(2-phenoxyethylcarbamoyl)pyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)NCCOc2ccccc2)CC1C(=O)O
InChIInChI=1S/C15H20N2O4/c1-11-9-17(10-13(11)14(18)19)15(20)16-7-8-21-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyNVZLOAMAVXCLGV-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.43
Rot. Bonds5

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

4-methyl-1-(2-phenoxyethylcarbamoyl)pyrrolidine-3-carboxylic acid (PubChem CID 63721310) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 4-methyl-1-(2-phenoxyethylcarbamoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(2-phenoxyethylcarbamoyl)pyrrolidine-3-carboxylic acid
PubChem CID63721310
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name4-methyl-1-(2-phenoxyethylcarbamoyl)pyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)NCCOc2ccccc2)CC1C(=O)O
InChIInChI=1S/C15H20N2O4/c1-11-9-17(10-13(11)14(18)19)15(20)16-7-8-21-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyNVZLOAMAVXCLGV-UHFFFAOYSA-N
XLogP1.43
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-1-(3-phenoxypropanoyl)pyrrolidine-3-carboxylic acid
CID 63721709
4-methyl-1-(2-phenylethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63721294
(3S,4S)-1-[2-(2,2-difluoroethoxy)ethylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 114128611
1-(2-aminoethylcarbamoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63720942
(3S,4S)-1-[3-(3-methoxyphenoxy)propylcarbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122003015
4-formyl-N-(2-phenoxyethyl)piperazine-1-carboxamide
CID 108887105
N-(2-phenoxyethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 18532694
3-(methanesulfonamido)-N-(2-phenoxyethyl)piperidine-1-carboxamide
CID 51083543
3-[[3-(3-phenoxypropoxy)azetidine-1-carbonyl]amino]propanoic acid
CID 122018551
4-(2-methoxyphenyl)-N-(2-phenoxyethyl)piperazine-1-carboxamide
CID 108887102
(3S,4S)-1-[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122120902
4-methyl-1-(4-propan-2-yloxybutylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 106004542

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-phenoxyethylcarbamoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 4-methyl-1-(2-phenoxyethylcarbamoyl)pyrrolidine-3-carboxylic acid (CID 63721310) is 4-methyl-1-(2-phenoxyethylcarbamoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(2-phenoxyethylcarbamoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-methyl-1-(2-phenoxyethylcarbamoyl)pyrrolidine-3-carboxylic acid is CC1CN(C(=O)NCCOc2ccccc2)CC1C(=O)O.
What is the InChIKey of 4-methyl-1-(2-phenoxyethylcarbamoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is NVZLOAMAVXCLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-11-9-17(10-13(11)14(18)19)15(20)16-7-8-21-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 4-methyl-1-(2-phenoxyethylcarbamoyl)pyrrolidine-3-carboxylic acid?
4-methyl-1-(2-phenoxyethylcarbamoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-phenoxyethylcarbamoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63721310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).