N-[(1S)-3-[(3aS,6aR)-5-acetyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]cyclopentanecarboxamide

C23H33N3O2 — CID 46888498

IUPACN-[(1S)-3-[(3aS,6aR)-5-acetyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]cyclopentanecarboxamide
SMILESCC(=O)N1C[C@H]2CN(CC[C@H](NC(=O)C3CCCC3)c3ccccc3)C[C@H]2C1
InChIInChI=1S/C23H33N3O2/c1-17(27)26-15-20-13-25(14-21(20)16-26)12-11-22(18-7-3-2-4-8-18)24-23(28)19-9-5-6-10-19/h2-4,7-8,19-22H,5-6,9-16H2,1H3,(H,24,28)/t20-,21+,22-/m0/s1
InChIKeyTUWONPCQQPXZAL-BDTNDASRSA-N
MW383.54 g/mol
LogP2.83
Rot. Bonds6

About N-[(1S)-3-[(3aS,6aR)-5-acetyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]cyclopentanecarboxamide

N-[(1S)-3-[(3aS,6aR)-5-acetyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]cyclopentanecarboxamide (PubChem CID 46888498) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is N-[(1S)-3-[(3aS,6aR)-5-acetyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(1S)-3-[(3aS,6aR)-5-acetyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]cyclopentanecarboxamide
PubChem CID46888498
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC NameN-[(1S)-3-[(3aS,6aR)-5-acetyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]cyclopentanecarboxamide
SMILESCC(=O)N1C[C@H]2CN(CC[C@H](NC(=O)C3CCCC3)c3ccccc3)C[C@H]2C1
InChIInChI=1S/C23H33N3O2/c1-17(27)26-15-20-13-25(14-21(20)16-26)12-11-22(18-7-3-2-4-8-18)24-23(28)19-9-5-6-10-19/h2-4,7-8,19-22H,5-6,9-16H2,1H3,(H,24,28)/t20-,21+,22-/m0/s1
InChIKeyTUWONPCQQPXZAL-BDTNDASRSA-N
XLogP2.83
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1S)-3-[(3aS,6aR)-5-acetyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]cyclopentanecarboxamide with MolForge

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Related Compounds

(3S,6S,10aS)-N-(diphenylmethyl)-5-oxo-6-[(2S)-2-(pyrrolidin-1-yl)butanamido]-decahydropyrrolo[1,2-a]azocine-3-carboxamide
CID 25138066
1-cyclopentyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 16307848
(3S,6S,10aS)-6-[(2S)-2-aminopropanamido]-N-benzyl-5-oxo-decahydropyrrolo[1,2-a]azocine-3-carboxamide
CID 25138059
[(3aR,6aR)-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-cyclopentylmethanone
CID 44560586
N-[(3aS,4S,6aR)-2-[(4-fluorophenyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2,2-dicyclohexylacetamide
CID 46213110
N-[(3aS,4S,6aR)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2-cyclopentyl-2-phenylacetamide
CID 46213365
(hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)(phenyl)methanone
CID 58312740
2-propyl-N-{(3aS*,4S*,6aR*)-2-[3-(trifluoromethyl)benzyl]octahydrocyclopenta[c]pyrrol-4-yl}pentanamide
CID 66590416
N-[(3aS,4S,6aR)-2-[(3-fluorophenyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2,2-dicyclohexylacetamide
CID 66590677
N-[(3aS,4S,6aR)-2-[(3-methylphenyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2,2-dicyclohexylacetamide
CID 66590699
Cemadotin
CID 9812632
1-cyclooctyl-N-(4-methylbenzyl)-5-oxopyrrolidine-3-carboxamide
CID 3236032

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-[(3aS,6aR)-5-acetyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]cyclopentanecarboxamide?
The IUPAC name of N-[(1S)-3-[(3aS,6aR)-5-acetyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]cyclopentanecarboxamide (CID 46888498) is N-[(1S)-3-[(3aS,6aR)-5-acetyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(1S)-3-[(3aS,6aR)-5-acetyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]cyclopentanecarboxamide?
The canonical SMILES for N-[(1S)-3-[(3aS,6aR)-5-acetyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]cyclopentanecarboxamide is CC(=O)N1C[C@H]2CN(CC[C@H](NC(=O)C3CCCC3)c3ccccc3)C[C@H]2C1.
What is the InChIKey of N-[(1S)-3-[(3aS,6aR)-5-acetyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]cyclopentanecarboxamide?
The InChIKey is TUWONPCQQPXZAL-BDTNDASRSA-N. The full InChI is InChI=1S/C23H33N3O2/c1-17(27)26-15-20-13-25(14-21(20)16-26)12-11-22(18-7-3-2-4-8-18)24-23(28)19-9-5-6-10-19/h2-4,7-8,19-22H,5-6,9-16H2,1H3,(H,24,28)/t20-,21+,22-/m0/s1.
What are the key properties of N-[(1S)-3-[(3aS,6aR)-5-acetyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]cyclopentanecarboxamide?
N-[(1S)-3-[(3aS,6aR)-5-acetyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]cyclopentanecarboxamide has a molecular weight of 383.54 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-[(3aS,6aR)-5-acetyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]cyclopentanecarboxamide is sourced from PubChem (CID 46888498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).