5-[(3R,6S)-5-[(2S)-2-amino-3,3-dimethylbutanoyl]-2,2-dimethyl-5-azaspiro[2.4]heptan-6-yl]-3-(cyclobutylmethyl)-2-hydroxy-5-oxopentanamide

C24H41N3O4 — CID 59630841

About 5-[(3R,6S)-5-[(2S)-2-amino-3,3-dimethylbutanoyl]-2,2-dimethyl-5-azaspiro[2.4]heptan-6-yl]-3-(cyclobutylmethyl)-2-hydroxy-5-oxopentanamide

5-[(3R,6S)-5-[(2S)-2-amino-3,3-dimethylbutanoyl]-2,2-dimethyl-5-azaspiro[2.4]heptan-6-yl]-3-(cyclobutylmethyl)-2-hydroxy-5-oxopentanamide (PubChem CID 59630841) has the molecular formula C24H41N3O4 and a molecular weight of 435.61 g/mol. Its IUPAC name is 5-[(3R,6S)-5-[(2S)-2-amino-3,3-dimethylbutanoyl]-2,2-dimethyl-5-azaspiro[2.4]heptan-6-yl]-3-(cyclobutylmethyl)-2-hydroxy-5-oxopentanamide.

Molecular Properties

• Compound Name: 5-[(3R,6S)-5-[(2S)-2-amino-3,3-dimethylbutanoyl]-2,2-dimethyl-5-azaspiro[2.4]heptan-6-yl]-3-(cyclobutylmethyl)-2-hydroxy-5-oxopentanamide
• PubChem CID: 59630841
• Molecular Formula: C24H41N3O4
• Molecular Weight: 435.61 g/mol
• Exact Mass: 435.31
• IUPAC Name: 5-[(3R,6S)-5-[(2S)-2-amino-3,3-dimethylbutanoyl]-2,2-dimethyl-5-azaspiro[2.4]heptan-6-yl]-3-(cyclobutylmethyl)-2-hydroxy-5-oxopentanamide
• SMILES: CC(C)(C)[C@H](N)C(=O)N1C[C@@]2(C[C@H]1C(=O)CC(CC1CCC1)C(O)C(N)=O)CC2(C)C
• InChI: InChI=1S/C24H41N3O4/c1-22(2,3)19(25)21(31)27-13-24(12-23(24,4)5)11-16(27)17(28)10-15(18(29)20(26)30)9-14-7-6-8-14/h14-16,18-19,29H,6-13,25H2,1-5H3,(H2,26,30)/t15?,16-,18?,19+,24+/m0/s1
• InChIKey: PKNPRYBABYTCJF-ICLUDXBLSA-N
• XLogP: 1.99
• TPSA: 126.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.61
LogP ≤ 5	1.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[(3R,6S)-5-[(2S)-2-amino-3,3-dimethylbutanoyl]-2,2-dimethyl-5-azaspiro[2.4]heptan-6-yl]-3-(cyclobutylmethyl)-2-hydroxy-5-oxopentanamide?

The IUPAC name of 5-[(3R,6S)-5-[(2S)-2-amino-3,3-dimethylbutanoyl]-2,2-dimethyl-5-azaspiro[2.4]heptan-6-yl]-3-(cyclobutylmethyl)-2-hydroxy-5-oxopentanamide (CID 59630841) is 5-[(3R,6S)-5-[(2S)-2-amino-3,3-dimethylbutanoyl]-2,2-dimethyl-5-azaspiro[2.4]heptan-6-yl]-3-(cyclobutylmethyl)-2-hydroxy-5-oxopentanamide.

What is the SMILES notation for 5-[(3R,6S)-5-[(2S)-2-amino-3,3-dimethylbutanoyl]-2,2-dimethyl-5-azaspiro[2.4]heptan-6-yl]-3-(cyclobutylmethyl)-2-hydroxy-5-oxopentanamide?

The canonical SMILES for 5-[(3R,6S)-5-[(2S)-2-amino-3,3-dimethylbutanoyl]-2,2-dimethyl-5-azaspiro[2.4]heptan-6-yl]-3-(cyclobutylmethyl)-2-hydroxy-5-oxopentanamide is CC(C)(C)[C@H](N)C(=O)N1C[C@@]2(C[C@H]1C(=O)CC(CC1CCC1)C(O)C(N)=O)CC2(C)C.

What is the InChIKey of 5-[(3R,6S)-5-[(2S)-2-amino-3,3-dimethylbutanoyl]-2,2-dimethyl-5-azaspiro[2.4]heptan-6-yl]-3-(cyclobutylmethyl)-2-hydroxy-5-oxopentanamide?

The InChIKey is PKNPRYBABYTCJF-ICLUDXBLSA-N. The full InChI is InChI=1S/C24H41N3O4/c1-22(2,3)19(25)21(31)27-13-24(12-23(24,4)5)11-16(27)17(28)10-15(18(29)20(26)30)9-14-7-6-8-14/h14-16,18-19,29H,6-13,25H2,1-5H3,(H2,26,30)/t15?,16-,18?,19+,24+/m0/s1.

What are the key properties of 5-[(3R,6S)-5-[(2S)-2-amino-3,3-dimethylbutanoyl]-2,2-dimethyl-5-azaspiro[2.4]heptan-6-yl]-3-(cyclobutylmethyl)-2-hydroxy-5-oxopentanamide?

5-[(3R,6S)-5-[(2S)-2-amino-3,3-dimethylbutanoyl]-2,2-dimethyl-5-azaspiro[2.4]heptan-6-yl]-3-(cyclobutylmethyl)-2-hydroxy-5-oxopentanamide has a molecular weight of 435.61 g/mol, XLogP of 1.99, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3R,6S)-5-[(2S)-2-amino-3,3-dimethylbutanoyl]-2,2-dimethyl-5-azaspiro[2.4]heptan-6-yl]-3-(cyclobutylmethyl)-2-hydroxy-5-oxopentanamide is sourced from PubChem (CID 59630841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).