(2S)-N-[(2S)-1-[(3aR,6S,6aS)-6-[[methyl(phenyl)carbamoyl]amino]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide

C25H39N5O3 — CID 25218678

IUPAC(2S)-N-[(2S)-1-[(3aR,6S,6aS)-6-[[methyl(phenyl)carbamoyl]amino]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide
SMILESCN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)N(C)c3ccccc3)[C@H]21)C(C)(C)C
InChIInChI=1S/C25H39N5O3/c1-16(26-5)22(31)28-21(25(2,3)4)23(32)30-15-14-17-12-13-19(20(17)30)27-24(33)29(6)18-10-8-7-9-11-18/h7-11,16-17,19-21,26H,12-15H2,1-6H3,(H,27,33)(H,28,31)/t16-,17+,19-,20-,21+/m0/s1
InChIKeyDBXXUGWDADCOGA-YZUZWNONSA-N
MW457.62 g/mol
LogP2.35
Rot. Bonds6

About (2S)-N-[(2S)-1-[(3aR,6S,6aS)-6-[[methyl(phenyl)carbamoyl]amino]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide

(2S)-N-[(2S)-1-[(3aR,6S,6aS)-6-[[methyl(phenyl)carbamoyl]amino]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide (PubChem CID 25218678) has the molecular formula C25H39N5O3 and a molecular weight of 457.62 g/mol. Its IUPAC name is (2S)-N-[(2S)-1-[(3aR,6S,6aS)-6-[[methyl(phenyl)carbamoyl]amino]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-1-[(3aR,6S,6aS)-6-[[methyl(phenyl)carbamoyl]amino]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide
PubChem CID25218678
Molecular FormulaC25H39N5O3
Molecular Weight457.62 g/mol
Exact Mass457.31
IUPAC Name(2S)-N-[(2S)-1-[(3aR,6S,6aS)-6-[[methyl(phenyl)carbamoyl]amino]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide
SMILESCN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)N(C)c3ccccc3)[C@H]21)C(C)(C)C
InChIInChI=1S/C25H39N5O3/c1-16(26-5)22(31)28-21(25(2,3)4)23(32)30-15-14-17-12-13-19(20(17)30)27-24(33)29(6)18-10-8-7-9-11-18/h7-11,16-17,19-21,26H,12-15H2,1-6H3,(H,27,33)(H,28,31)/t16-,17+,19-,20-,21+/m0/s1
InChIKeyDBXXUGWDADCOGA-YZUZWNONSA-N
XLogP2.35
TPSA93.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.62
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[(2S)-1-[(3aR,6S,6aS)-6-[[methyl(phenyl)carbamoyl]amino]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide 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)-N-[(2S)-1-[(3aR,6S,6aS)-6-{[(4-fluorophenyl)(methyl)carbamoyl]amino}-octahydrocyclopenta[b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide
CID 25218679
(S)-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-3-isopentyl-2-oxo-2,3-dihydrobenzo[d]imidazole-1-carboxamide
CID 44576654
N-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-octahydrocyclopenta[b]pyrrol-6-yl]-2,3-dihydro-1H-indole-1-carboxamide
CID 25218681
2-(3-(1-(2,2-dimethylcyclopentyl)piperidin-4-yl)-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-N-methylacetamide
CID 46880088
PhNHCO-Gly(tBu)-N(CH2cPent)Gly-NHOH
CID 49862111
(2S)-N-(cyclopentylmethyl)-N-[2-(hydroxyamino)-2-oxoethyl]-3,3-dimethyl-2-[[methyl(phenyl)carbamoyl]amino]butanamide
CID 49862148
Pyrrolidine-1,2-dicarboxylic acid 2-cyclopentylamide 1-phenylamide
CID 655301
2-N-(cyclohexylmethyl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 3221241
2-N-cyclopentyl-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 3230191
N-[4-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3,3-dimethylbutanamide
CID 36357531
Pyrrolidine-1,2-dicarboxylic acid 2-butylamide 1-[(2-ethyl-phenyl)-amide]
CID 44281458
2'-Ethyl-N-(2-fluorophenyl)-1',3'-dioxo-hexahydrospiro[piperidine-4,6'-pyrrolo[1,2-C]imidazole]-1-carboxamide
CID 124075290

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-1-[(3aR,6S,6aS)-6-[[methyl(phenyl)carbamoyl]amino]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide?
The IUPAC name of (2S)-N-[(2S)-1-[(3aR,6S,6aS)-6-[[methyl(phenyl)carbamoyl]amino]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide (CID 25218678) is (2S)-N-[(2S)-1-[(3aR,6S,6aS)-6-[[methyl(phenyl)carbamoyl]amino]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide.
What is the SMILES notation for (2S)-N-[(2S)-1-[(3aR,6S,6aS)-6-[[methyl(phenyl)carbamoyl]amino]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide?
The canonical SMILES for (2S)-N-[(2S)-1-[(3aR,6S,6aS)-6-[[methyl(phenyl)carbamoyl]amino]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide is CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)N(C)c3ccccc3)[C@H]21)C(C)(C)C.
What is the InChIKey of (2S)-N-[(2S)-1-[(3aR,6S,6aS)-6-[[methyl(phenyl)carbamoyl]amino]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide?
The InChIKey is DBXXUGWDADCOGA-YZUZWNONSA-N. The full InChI is InChI=1S/C25H39N5O3/c1-16(26-5)22(31)28-21(25(2,3)4)23(32)30-15-14-17-12-13-19(20(17)30)27-24(33)29(6)18-10-8-7-9-11-18/h7-11,16-17,19-21,26H,12-15H2,1-6H3,(H,27,33)(H,28,31)/t16-,17+,19-,20-,21+/m0/s1.
What are the key properties of (2S)-N-[(2S)-1-[(3aR,6S,6aS)-6-[[methyl(phenyl)carbamoyl]amino]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide?
(2S)-N-[(2S)-1-[(3aR,6S,6aS)-6-[[methyl(phenyl)carbamoyl]amino]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide has a molecular weight of 457.62 g/mol, XLogP of 2.35, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-1-[(3aR,6S,6aS)-6-[[methyl(phenyl)carbamoyl]amino]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide is sourced from PubChem (CID 25218678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).