(2S)-1-[(2R)-2-methyl-4-phenoxybutanoyl]pyrrolidine-2-carboxamide

C16H22N2O3 — CID 95905191

IUPAC(2S)-1-[(2R)-2-methyl-4-phenoxybutanoyl]pyrrolidine-2-carboxamide
SMILESC[C@H](CCOc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O
InChIInChI=1S/C16H22N2O3/c1-12(9-11-21-13-6-3-2-4-7-13)16(20)18-10-5-8-14(18)15(17)19/h2-4,6-7,12,14H,5,8-11H2,1H3,(H2,17,19)/t12-,14+/m1/s1
InChIKeyMSVIJJJYBBVSHO-OCCSQVGLSA-N
MW290.36 g/mol
LogP1.57
Rot. Bonds6

About (2S)-1-[(2R)-2-methyl-4-phenoxybutanoyl]pyrrolidine-2-carboxamide

(2S)-1-[(2R)-2-methyl-4-phenoxybutanoyl]pyrrolidine-2-carboxamide (PubChem CID 95905191) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is (2S)-1-[(2R)-2-methyl-4-phenoxybutanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2R)-2-methyl-4-phenoxybutanoyl]pyrrolidine-2-carboxamide
PubChem CID95905191
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(2S)-1-[(2R)-2-methyl-4-phenoxybutanoyl]pyrrolidine-2-carboxamide
SMILESC[C@H](CCOc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O
InChIInChI=1S/C16H22N2O3/c1-12(9-11-21-13-6-3-2-4-7-13)16(20)18-10-5-8-14(18)15(17)19/h2-4,6-7,12,14H,5,8-11H2,1H3,(H2,17,19)/t12-,14+/m1/s1
InChIKeyMSVIJJJYBBVSHO-OCCSQVGLSA-N
XLogP1.57
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-1-[(2R)-2-methyl-4-phenoxybutanoyl]pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methyl-4-phenoxybutanoyl)piperidine-2-carboxylic acid
CID 119176352
(3R)-4-[(2R)-2-methyl-4-phenoxybutanoyl]morpholine-3-carboxylic acid
CID 125133585
1-[(3R)-3-aminopyrrolidin-1-yl]-2-methyl-4-phenoxybutan-1-one
CID 119413028
2-[[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-3-phenylpropanoic acid
CID 70044514
1-(5-amino-2-methylpentanoyl)pyrrolidine-2-carboxamide
CID 104683570
(2S)-1-[(2S)-2-benzamidopropanoyl]pyrrolidine-2-carboxamide
CID 169260137
2-methyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]-4-phenoxybutan-1-one
CID 119541976
methyl N-[(1R)-2-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 71164933
2-methyl-1-(3-methylpiperazin-1-yl)-4-phenoxybutan-1-one;hydrochloride
CID 119580316
1-(3-ethyl-3-hydroxy-2-phenylpentanoyl)pyrrolidine-2-carboxamide
CID 174658326
benzyl N-[(2S,3R)-1-[(2R)-2-carbamoylpyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamate
CID 56845611
1-[2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxamide
CID 85165337

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2R)-2-methyl-4-phenoxybutanoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2R)-2-methyl-4-phenoxybutanoyl]pyrrolidine-2-carboxamide (CID 95905191) is (2S)-1-[(2R)-2-methyl-4-phenoxybutanoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2R)-2-methyl-4-phenoxybutanoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2R)-2-methyl-4-phenoxybutanoyl]pyrrolidine-2-carboxamide is C[C@H](CCOc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O.
What is the InChIKey of (2S)-1-[(2R)-2-methyl-4-phenoxybutanoyl]pyrrolidine-2-carboxamide?
The InChIKey is MSVIJJJYBBVSHO-OCCSQVGLSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12(9-11-21-13-6-3-2-4-7-13)16(20)18-10-5-8-14(18)15(17)19/h2-4,6-7,12,14H,5,8-11H2,1H3,(H2,17,19)/t12-,14+/m1/s1.
What are the key properties of (2S)-1-[(2R)-2-methyl-4-phenoxybutanoyl]pyrrolidine-2-carboxamide?
(2S)-1-[(2R)-2-methyl-4-phenoxybutanoyl]pyrrolidine-2-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2R)-2-methyl-4-phenoxybutanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 95905191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).