2-[(3aR,6aR)-1-(2-methoxypentanoyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-N-(cyclopropylmethyl)-2-oxoacetamide

C18H29N3O4 — CID 138046521

IUPAC2-[(3aR,6aR)-1-(2-methoxypentanoyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-N-(cyclopropylmethyl)-2-oxoacetamide
SMILESCCCC(OC)C(=O)N1CC[C@@H]2CN(C(=O)C(=O)NCC3CC3)C[C@@H]21
InChIInChI=1S/C18H29N3O4/c1-3-4-15(25-2)17(23)21-8-7-13-10-20(11-14(13)21)18(24)16(22)19-9-12-5-6-12/h12-15H,3-11H2,1-2H3,(H,19,22)/t13-,14+,15?/m1/s1
InChIKeySEQVDVKABDTFEB-GNXJLENFSA-N
MW351.45 g/mol
LogP0.39
Rot. Bonds6

About 2-[(3aR,6aR)-1-(2-methoxypentanoyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-N-(cyclopropylmethyl)-2-oxoacetamide

2-[(3aR,6aR)-1-(2-methoxypentanoyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-N-(cyclopropylmethyl)-2-oxoacetamide (PubChem CID 138046521) has the molecular formula C18H29N3O4 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-[(3aR,6aR)-1-(2-methoxypentanoyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-N-(cyclopropylmethyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[(3aR,6aR)-1-(2-methoxypentanoyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-N-(cyclopropylmethyl)-2-oxoacetamide
PubChem CID138046521
Molecular FormulaC18H29N3O4
Molecular Weight351.45 g/mol
Exact Mass351.22
IUPAC Name2-[(3aR,6aR)-1-(2-methoxypentanoyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-N-(cyclopropylmethyl)-2-oxoacetamide
SMILESCCCC(OC)C(=O)N1CC[C@@H]2CN(C(=O)C(=O)NCC3CC3)C[C@@H]21
InChIInChI=1S/C18H29N3O4/c1-3-4-15(25-2)17(23)21-8-7-13-10-20(11-14(13)21)18(24)16(22)19-9-12-5-6-12/h12-15H,3-11H2,1-2H3,(H,19,22)/t13-,14+,15?/m1/s1
InChIKeySEQVDVKABDTFEB-GNXJLENFSA-N
XLogP0.39
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-[(3aR,6aR)-1-(2-methoxypentanoyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-N-(cyclopropylmethyl)-2-oxoacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3aR,6aR)-1-(2-methoxypentanoyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-N-(cyclopropylmethyl)-2-oxoacetamide?
The IUPAC name of 2-[(3aR,6aR)-1-(2-methoxypentanoyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-N-(cyclopropylmethyl)-2-oxoacetamide (CID 138046521) is 2-[(3aR,6aR)-1-(2-methoxypentanoyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-N-(cyclopropylmethyl)-2-oxoacetamide.
What is the SMILES notation for 2-[(3aR,6aR)-1-(2-methoxypentanoyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-N-(cyclopropylmethyl)-2-oxoacetamide?
The canonical SMILES for 2-[(3aR,6aR)-1-(2-methoxypentanoyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-N-(cyclopropylmethyl)-2-oxoacetamide is CCCC(OC)C(=O)N1CC[C@@H]2CN(C(=O)C(=O)NCC3CC3)C[C@@H]21.
What is the InChIKey of 2-[(3aR,6aR)-1-(2-methoxypentanoyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-N-(cyclopropylmethyl)-2-oxoacetamide?
The InChIKey is SEQVDVKABDTFEB-GNXJLENFSA-N. The full InChI is InChI=1S/C18H29N3O4/c1-3-4-15(25-2)17(23)21-8-7-13-10-20(11-14(13)21)18(24)16(22)19-9-12-5-6-12/h12-15H,3-11H2,1-2H3,(H,19,22)/t13-,14+,15?/m1/s1.
What are the key properties of 2-[(3aR,6aR)-1-(2-methoxypentanoyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-N-(cyclopropylmethyl)-2-oxoacetamide?
2-[(3aR,6aR)-1-(2-methoxypentanoyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-N-(cyclopropylmethyl)-2-oxoacetamide has a molecular weight of 351.45 g/mol, XLogP of 0.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aR,6aR)-1-(2-methoxypentanoyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-N-(cyclopropylmethyl)-2-oxoacetamide is sourced from PubChem (CID 138046521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).