methyl (2R)-2-[[(2R)-1-benzoyl-4,4-dimethylpyrrolidine-2-carbonyl]amino]-3-phenylpropanoate

C24H28N2O4 — CID 134961628

IUPACmethyl (2R)-2-[[(2R)-1-benzoyl-4,4-dimethylpyrrolidine-2-carbonyl]amino]-3-phenylpropanoate
SMILESCOC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC(C)(C)CN1C(=O)c1ccccc1
InChIInChI=1S/C24H28N2O4/c1-24(2)15-20(26(16-24)22(28)18-12-8-5-9-13-18)21(27)25-19(23(29)30-3)14-17-10-6-4-7-11-17/h4-13,19-20H,14-16H2,1-3H3,(H,25,27)/t19-,20-/m1/s1
InChIKeyDCLNITDSJVPPIN-WOJBJXKFSA-N
MW408.50 g/mol
LogP2.83
Rot. Bonds6

About methyl (2R)-2-[[(2R)-1-benzoyl-4,4-dimethylpyrrolidine-2-carbonyl]amino]-3-phenylpropanoate

methyl (2R)-2-[[(2R)-1-benzoyl-4,4-dimethylpyrrolidine-2-carbonyl]amino]-3-phenylpropanoate (PubChem CID 134961628) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is methyl (2R)-2-[[(2R)-1-benzoyl-4,4-dimethylpyrrolidine-2-carbonyl]amino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[[(2R)-1-benzoyl-4,4-dimethylpyrrolidine-2-carbonyl]amino]-3-phenylpropanoate
PubChem CID134961628
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Namemethyl (2R)-2-[[(2R)-1-benzoyl-4,4-dimethylpyrrolidine-2-carbonyl]amino]-3-phenylpropanoate
SMILESCOC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC(C)(C)CN1C(=O)c1ccccc1
InChIInChI=1S/C24H28N2O4/c1-24(2)15-20(26(16-24)22(28)18-12-8-5-9-13-18)21(27)25-19(23(29)30-3)14-17-10-6-4-7-11-17/h4-13,19-20H,14-16H2,1-3H3,(H,25,27)/t19-,20-/m1/s1
InChIKeyDCLNITDSJVPPIN-WOJBJXKFSA-N
XLogP2.83
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (2R)-2-[[(2R)-1-benzoyl-4,4-dimethylpyrrolidine-2-carbonyl]amino]-3-phenylpropanoate with MolForge

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Related Compounds

Npc171139
CID 9832120
Asperphenamate
CID 173952
Benzoyl-L-phenylalanine
CID 97370
Aurantiamide Acetate
CID 10026486
l-Phenylalanine-, N-(p-toluoyl)-, methyl ester
CID 531438
N-(1-Ethoxy-1-oxo-3-phenylpropan-2-yl)benzenecarboximidic acid
CID 209394
N-benzoyl-phenylalanine methyl ester
CID 569674
DL-Phenylalanine, N-(1-oxo-3-phenyl-2-propenyl)-, methyl ester, (E)-
CID 6449725
N-Benzoyl-DL-phenylalanine
CID 273362
methyl 2-[4-({[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]formamido}methyl)phenyl]acetate
CID 10226188
5-Benzamido-2-methyl-4-oxo-6-phenylhexanoylproline
CID 134166
(S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-nonanoylamino]-3-phenyl-propionic acid ethyl ester
CID 10391460

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[[(2R)-1-benzoyl-4,4-dimethylpyrrolidine-2-carbonyl]amino]-3-phenylpropanoate?
The IUPAC name of methyl (2R)-2-[[(2R)-1-benzoyl-4,4-dimethylpyrrolidine-2-carbonyl]amino]-3-phenylpropanoate (CID 134961628) is methyl (2R)-2-[[(2R)-1-benzoyl-4,4-dimethylpyrrolidine-2-carbonyl]amino]-3-phenylpropanoate.
What is the SMILES notation for methyl (2R)-2-[[(2R)-1-benzoyl-4,4-dimethylpyrrolidine-2-carbonyl]amino]-3-phenylpropanoate?
The canonical SMILES for methyl (2R)-2-[[(2R)-1-benzoyl-4,4-dimethylpyrrolidine-2-carbonyl]amino]-3-phenylpropanoate is COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC(C)(C)CN1C(=O)c1ccccc1.
What is the InChIKey of methyl (2R)-2-[[(2R)-1-benzoyl-4,4-dimethylpyrrolidine-2-carbonyl]amino]-3-phenylpropanoate?
The InChIKey is DCLNITDSJVPPIN-WOJBJXKFSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-24(2)15-20(26(16-24)22(28)18-12-8-5-9-13-18)21(27)25-19(23(29)30-3)14-17-10-6-4-7-11-17/h4-13,19-20H,14-16H2,1-3H3,(H,25,27)/t19-,20-/m1/s1.
What are the key properties of methyl (2R)-2-[[(2R)-1-benzoyl-4,4-dimethylpyrrolidine-2-carbonyl]amino]-3-phenylpropanoate?
methyl (2R)-2-[[(2R)-1-benzoyl-4,4-dimethylpyrrolidine-2-carbonyl]amino]-3-phenylpropanoate has a molecular weight of 408.50 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[[(2R)-1-benzoyl-4,4-dimethylpyrrolidine-2-carbonyl]amino]-3-phenylpropanoate is sourced from PubChem (CID 134961628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).