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

C24H41N3O4 — CID 59630880

IUPAC5-[(3R,6S)-5-[(2S)-2-amino-3,3-dimethylbutanoyl]-2-ethyl-5-azaspiro[2.4]heptan-6-yl]-3-(cyclobutylmethyl)-2-hydroxy-5-oxopentanamide
SMILESCCC1C[C@@]12C[C@@H](C(=O)CC(CC1CCC1)C(O)C(N)=O)N(C(=O)[C@@H](N)C(C)(C)C)C2
InChIInChI=1S/C24H41N3O4/c1-5-16-11-24(16)12-17(27(13-24)22(31)20(25)23(2,3)4)18(28)10-15(19(29)21(26)30)9-14-7-6-8-14/h14-17,19-20,29H,5-13,25H2,1-4H3,(H2,26,30)/t15?,16?,17-,19?,20+,24-/m0/s1
InChIKeyATUSHBUZIMIWDZ-BZTXCWDNSA-N
MW435.61 g/mol
LogP1.99
Rot. Bonds9

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

5-[(3R,6S)-5-[(2S)-2-amino-3,3-dimethylbutanoyl]-2-ethyl-5-azaspiro[2.4]heptan-6-yl]-3-(cyclobutylmethyl)-2-hydroxy-5-oxopentanamide (PubChem CID 59630880) 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-ethyl-5-azaspiro[2.4]heptan-6-yl]-3-(cyclobutylmethyl)-2-hydroxy-5-oxopentanamide.

Molecular Properties

Compound Name5-[(3R,6S)-5-[(2S)-2-amino-3,3-dimethylbutanoyl]-2-ethyl-5-azaspiro[2.4]heptan-6-yl]-3-(cyclobutylmethyl)-2-hydroxy-5-oxopentanamide
PubChem CID59630880
Molecular FormulaC24H41N3O4
Molecular Weight435.61 g/mol
Exact Mass435.31
IUPAC Name5-[(3R,6S)-5-[(2S)-2-amino-3,3-dimethylbutanoyl]-2-ethyl-5-azaspiro[2.4]heptan-6-yl]-3-(cyclobutylmethyl)-2-hydroxy-5-oxopentanamide
SMILESCCC1C[C@@]12C[C@@H](C(=O)CC(CC1CCC1)C(O)C(N)=O)N(C(=O)[C@@H](N)C(C)(C)C)C2
InChIInChI=1S/C24H41N3O4/c1-5-16-11-24(16)12-17(27(13-24)22(31)20(25)23(2,3)4)18(28)10-15(19(29)21(26)30)9-14-7-6-8-14/h14-17,19-20,29H,5-13,25H2,1-4H3,(H2,26,30)/t15?,16?,17-,19?,20+,24-/m0/s1
InChIKeyATUSHBUZIMIWDZ-BZTXCWDNSA-N
XLogP1.99
TPSA126.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.61
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(3R,6S)-5-[(2S)-2-amino-3,3-dimethylbutanoyl]-2-ethyl-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-ethyl-5-azaspiro[2.4]heptan-6-yl]-3-(cyclobutylmethyl)-2-hydroxy-5-oxopentanamide (CID 59630880) is 5-[(3R,6S)-5-[(2S)-2-amino-3,3-dimethylbutanoyl]-2-ethyl-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-ethyl-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-ethyl-5-azaspiro[2.4]heptan-6-yl]-3-(cyclobutylmethyl)-2-hydroxy-5-oxopentanamide is CCC1C[C@@]12C[C@@H](C(=O)CC(CC1CCC1)C(O)C(N)=O)N(C(=O)[C@@H](N)C(C)(C)C)C2.
What is the InChIKey of 5-[(3R,6S)-5-[(2S)-2-amino-3,3-dimethylbutanoyl]-2-ethyl-5-azaspiro[2.4]heptan-6-yl]-3-(cyclobutylmethyl)-2-hydroxy-5-oxopentanamide?
The InChIKey is ATUSHBUZIMIWDZ-BZTXCWDNSA-N. The full InChI is InChI=1S/C24H41N3O4/c1-5-16-11-24(16)12-17(27(13-24)22(31)20(25)23(2,3)4)18(28)10-15(19(29)21(26)30)9-14-7-6-8-14/h14-17,19-20,29H,5-13,25H2,1-4H3,(H2,26,30)/t15?,16?,17-,19?,20+,24-/m0/s1.
What are the key properties of 5-[(3R,6S)-5-[(2S)-2-amino-3,3-dimethylbutanoyl]-2-ethyl-5-azaspiro[2.4]heptan-6-yl]-3-(cyclobutylmethyl)-2-hydroxy-5-oxopentanamide?
5-[(3R,6S)-5-[(2S)-2-amino-3,3-dimethylbutanoyl]-2-ethyl-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, 9 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-ethyl-5-azaspiro[2.4]heptan-6-yl]-3-(cyclobutylmethyl)-2-hydroxy-5-oxopentanamide is sourced from PubChem (CID 59630880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).