(2S)-N-[[3-[[(2R)-5-oxooxolane-2-carbonyl]amino]phenyl]methyl]-1-[(2S)-2,3,3-trimethylbutanoyl]pyrrolidine-2-carboxamide

C24H33N3O5 — CID 163991082

IUPAC(2S)-N-[[3-[[(2R)-5-oxooxolane-2-carbonyl]amino]phenyl]methyl]-1-[(2S)-2,3,3-trimethylbutanoyl]pyrrolidine-2-carboxamide
SMILESC[C@H](C(=O)N1CCC[C@H]1C(=O)NCc1cccc(NC(=O)[C@H]2CCC(=O)O2)c1)C(C)(C)C
InChIInChI=1S/C24H33N3O5/c1-15(24(2,3)4)23(31)27-12-6-9-18(27)21(29)25-14-16-7-5-8-17(13-16)26-22(30)19-10-11-20(28)32-19/h5,7-8,13,15,18-19H,6,9-12,14H2,1-4H3,(H,25,29)(H,26,30)/t15-,18+,19-/m1/s1
InChIKeyUARFRPUOTBNVQB-AYOQOUSVSA-N
MW443.54 g/mol
LogP2.62
Rot. Bonds6

About (2S)-N-[[3-[[(2R)-5-oxooxolane-2-carbonyl]amino]phenyl]methyl]-1-[(2S)-2,3,3-trimethylbutanoyl]pyrrolidine-2-carboxamide

(2S)-N-[[3-[[(2R)-5-oxooxolane-2-carbonyl]amino]phenyl]methyl]-1-[(2S)-2,3,3-trimethylbutanoyl]pyrrolidine-2-carboxamide (PubChem CID 163991082) has the molecular formula C24H33N3O5 and a molecular weight of 443.54 g/mol. Its IUPAC name is (2S)-N-[[3-[[(2R)-5-oxooxolane-2-carbonyl]amino]phenyl]methyl]-1-[(2S)-2,3,3-trimethylbutanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[3-[[(2R)-5-oxooxolane-2-carbonyl]amino]phenyl]methyl]-1-[(2S)-2,3,3-trimethylbutanoyl]pyrrolidine-2-carboxamide
PubChem CID163991082
Molecular FormulaC24H33N3O5
Molecular Weight443.54 g/mol
Exact Mass443.24
IUPAC Name(2S)-N-[[3-[[(2R)-5-oxooxolane-2-carbonyl]amino]phenyl]methyl]-1-[(2S)-2,3,3-trimethylbutanoyl]pyrrolidine-2-carboxamide
SMILESC[C@H](C(=O)N1CCC[C@H]1C(=O)NCc1cccc(NC(=O)[C@H]2CCC(=O)O2)c1)C(C)(C)C
InChIInChI=1S/C24H33N3O5/c1-15(24(2,3)4)23(31)27-12-6-9-18(27)21(29)25-14-16-7-5-8-17(13-16)26-22(30)19-10-11-20(28)32-19/h5,7-8,13,15,18-19H,6,9-12,14H2,1-4H3,(H,25,29)(H,26,30)/t15-,18+,19-/m1/s1
InChIKeyUARFRPUOTBNVQB-AYOQOUSVSA-N
XLogP2.62
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.54
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-N-[[3-[[(2R)-5-oxooxolane-2-carbonyl]amino]phenyl]methyl]-1-[(2S)-2,3,3-trimethylbutanoyl]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

(2S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-[[3-[[(2R)-4-oxoazetidine-2-carbonyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 70666663
(2R)-1-N-[[3-[[(2R)-oxolane-2-carbonyl]amino]phenyl]methyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide
CID 52513638
(3S,6S)-6-[[(2S)-2-(methylamino)propanoyl]amino]-5-oxo-N-[[3-[[(2S)-5-oxooxolane-2-carbonyl]amino]phenyl]methyl]-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocine-3-carboxamide
CID 130291044
tert-butyl N-[[3-[[[(2R)-5-oxooxolane-2-carbonyl]amino]methyl]phenyl]methyl]carbamate
CID 66985849
(3S,6S)-6-[[(2S)-2-(methylamino)propanoyl]amino]-5-oxo-N-[[3-[(6-oxooxane-2-carbonyl)amino]phenyl]methyl]-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocine-3-carboxamide
CID 130291910
N-benzyl-1-(2-cyclopropylpropanoyl)pyrrolidine-2-carboxamide
CID 110625860
(2R)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 95273896
tert-butyl 2-[[3-(methanesulfonamido)phenyl]methylcarbamoyl]pyrrolidine-1-carboxylate
CID 46404764
6-[[(2S)-2-(methylamino)propanoyl]amino]-5-oxo-N-[[3-[[[(2S)-5-oxooxolane-2-carbonyl]amino]methyl]phenyl]methyl]-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocine-3-carboxamide
CID 175837381
(3S,6S,10aS)-6-[2-(methylamino)propanoylamino]-5-oxo-N-[[3-[[(5-oxooxolane-2-carbonyl)amino]methyl]phenyl]methyl]-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocine-3-carboxamide
CID 66993255
N-[(3-fluorophenyl)methyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 170578293
N-[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]oxolane-2-carboxamide;hydrochloride
CID 119305205

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[3-[[(2R)-5-oxooxolane-2-carbonyl]amino]phenyl]methyl]-1-[(2S)-2,3,3-trimethylbutanoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[[3-[[(2R)-5-oxooxolane-2-carbonyl]amino]phenyl]methyl]-1-[(2S)-2,3,3-trimethylbutanoyl]pyrrolidine-2-carboxamide (CID 163991082) is (2S)-N-[[3-[[(2R)-5-oxooxolane-2-carbonyl]amino]phenyl]methyl]-1-[(2S)-2,3,3-trimethylbutanoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[[3-[[(2R)-5-oxooxolane-2-carbonyl]amino]phenyl]methyl]-1-[(2S)-2,3,3-trimethylbutanoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[[3-[[(2R)-5-oxooxolane-2-carbonyl]amino]phenyl]methyl]-1-[(2S)-2,3,3-trimethylbutanoyl]pyrrolidine-2-carboxamide is C[C@H](C(=O)N1CCC[C@H]1C(=O)NCc1cccc(NC(=O)[C@H]2CCC(=O)O2)c1)C(C)(C)C.
What is the InChIKey of (2S)-N-[[3-[[(2R)-5-oxooxolane-2-carbonyl]amino]phenyl]methyl]-1-[(2S)-2,3,3-trimethylbutanoyl]pyrrolidine-2-carboxamide?
The InChIKey is UARFRPUOTBNVQB-AYOQOUSVSA-N. The full InChI is InChI=1S/C24H33N3O5/c1-15(24(2,3)4)23(31)27-12-6-9-18(27)21(29)25-14-16-7-5-8-17(13-16)26-22(30)19-10-11-20(28)32-19/h5,7-8,13,15,18-19H,6,9-12,14H2,1-4H3,(H,25,29)(H,26,30)/t15-,18+,19-/m1/s1.
What are the key properties of (2S)-N-[[3-[[(2R)-5-oxooxolane-2-carbonyl]amino]phenyl]methyl]-1-[(2S)-2,3,3-trimethylbutanoyl]pyrrolidine-2-carboxamide?
(2S)-N-[[3-[[(2R)-5-oxooxolane-2-carbonyl]amino]phenyl]methyl]-1-[(2S)-2,3,3-trimethylbutanoyl]pyrrolidine-2-carboxamide has a molecular weight of 443.54 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[3-[[(2R)-5-oxooxolane-2-carbonyl]amino]phenyl]methyl]-1-[(2S)-2,3,3-trimethylbutanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 163991082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).