5-[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 59630714

IUPAC5-[5-[(2S)-2-amino-3,3-dimethylbutanoyl]-2,2-dimethyl-5-azaspiro[2.4]heptan-6-yl]-3-(cyclobutylmethyl)-2-hydroxy-5-oxopentanamide
SMILESCC(C)(C)[C@H](N)C(=O)N1CC2(CC1C(=O)CC(CC1CCC1)C(O)C(N)=O)CC2(C)C
InChIInChI=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?/m1/s1
InChIKeyPKNPRYBABYTCJF-OLNMZOLMSA-N
MW435.61 g/mol
LogP1.99
Rot. Bonds8

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

5-[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 59630714) has the molecular formula C24H41N3O4 and a molecular weight of 435.61 g/mol. Its IUPAC name is 5-[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 Name5-[5-[(2S)-2-amino-3,3-dimethylbutanoyl]-2,2-dimethyl-5-azaspiro[2.4]heptan-6-yl]-3-(cyclobutylmethyl)-2-hydroxy-5-oxopentanamide
PubChem CID59630714
Molecular FormulaC24H41N3O4
Molecular Weight435.61 g/mol
Exact Mass435.31
IUPAC Name5-[5-[(2S)-2-amino-3,3-dimethylbutanoyl]-2,2-dimethyl-5-azaspiro[2.4]heptan-6-yl]-3-(cyclobutylmethyl)-2-hydroxy-5-oxopentanamide
SMILESCC(C)(C)[C@H](N)C(=O)N1CC2(CC1C(=O)CC(CC1CCC1)C(O)C(N)=O)CC2(C)C
InChIInChI=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?/m1/s1
InChIKeyPKNPRYBABYTCJF-OLNMZOLMSA-N
XLogP1.99
TPSA126.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
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

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Frequently Asked Questions

What is the IUPAC name of 5-[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-[5-[(2S)-2-amino-3,3-dimethylbutanoyl]-2,2-dimethyl-5-azaspiro[2.4]heptan-6-yl]-3-(cyclobutylmethyl)-2-hydroxy-5-oxopentanamide (CID 59630714) is 5-[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-[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-[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)N1CC2(CC1C(=O)CC(CC1CCC1)C(O)C(N)=O)CC2(C)C.
What is the InChIKey of 5-[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-OLNMZOLMSA-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?/m1/s1.
What are the key properties of 5-[5-[(2S)-2-amino-3,3-dimethylbutanoyl]-2,2-dimethyl-5-azaspiro[2.4]heptan-6-yl]-3-(cyclobutylmethyl)-2-hydroxy-5-oxopentanamide?
5-[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-[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 59630714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).