5-[(8S)-7-[(2S)-2-amino-3,3-dimethylbutanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-8-yl]-3-(cyclobutylmethyl)-2-hydroxy-5-oxopentanamide

C27H45N3O4 — CID 59630829

IUPAC5-[(8S)-7-[(2S)-2-amino-3,3-dimethylbutanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-8-yl]-3-(cyclobutylmethyl)-2-hydroxy-5-oxopentanamide
SMILESCC(C)(C)[C@H](N)C(=O)N1CC2(C[C@H]1C(=O)CC(CC1CCC1)C(O)C(N)=O)C(C)(C)C21CCC1
InChIInChI=1S/C27H45N3O4/c1-24(2,3)21(28)23(34)30-15-27(25(4,5)26(27)10-7-11-26)14-18(30)19(31)13-17(20(32)22(29)33)12-16-8-6-9-16/h16-18,20-21,32H,6-15,28H2,1-5H3,(H2,29,33)/t17?,18-,20?,21+,27?/m0/s1
InChIKeyWGYKXPLLSUCKER-HYVUUAPQSA-N
MW475.67 g/mol
LogP2.77
Rot. Bonds8

About 5-[(8S)-7-[(2S)-2-amino-3,3-dimethylbutanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-8-yl]-3-(cyclobutylmethyl)-2-hydroxy-5-oxopentanamide

5-[(8S)-7-[(2S)-2-amino-3,3-dimethylbutanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-8-yl]-3-(cyclobutylmethyl)-2-hydroxy-5-oxopentanamide (PubChem CID 59630829) has the molecular formula C27H45N3O4 and a molecular weight of 475.67 g/mol. Its IUPAC name is 5-[(8S)-7-[(2S)-2-amino-3,3-dimethylbutanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-8-yl]-3-(cyclobutylmethyl)-2-hydroxy-5-oxopentanamide.

Molecular Properties

Compound Name5-[(8S)-7-[(2S)-2-amino-3,3-dimethylbutanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-8-yl]-3-(cyclobutylmethyl)-2-hydroxy-5-oxopentanamide
PubChem CID59630829
Molecular FormulaC27H45N3O4
Molecular Weight475.67 g/mol
Exact Mass475.34
IUPAC Name5-[(8S)-7-[(2S)-2-amino-3,3-dimethylbutanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-8-yl]-3-(cyclobutylmethyl)-2-hydroxy-5-oxopentanamide
SMILESCC(C)(C)[C@H](N)C(=O)N1CC2(C[C@H]1C(=O)CC(CC1CCC1)C(O)C(N)=O)C(C)(C)C21CCC1
InChIInChI=1S/C27H45N3O4/c1-24(2,3)21(28)23(34)30-15-27(25(4,5)26(27)10-7-11-26)14-18(30)19(31)13-17(20(32)22(29)33)12-16-8-6-9-16/h16-18,20-21,32H,6-15,28H2,1-5H3,(H2,29,33)/t17?,18-,20?,21+,27?/m0/s1
InChIKeyWGYKXPLLSUCKER-HYVUUAPQSA-N
XLogP2.77
TPSA126.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.67
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-4-[1-(2-amino-1-hydroxy-2-oxoethyl)cyclobutyl]-1-(1-methylcyclopentyl)-3-oxobutan-2-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 162204317
5-[(2S)-3-[(2S)-2-tert-butyl-6,6-dimethyl-4-oxoheptanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-3-(cyclobutylmethyl)-2-hydroxy-5-oxopentanamide
CID 58262967
3-(cyclobutylmethyl)-5-[(2S)-3-[(2S)-2-cyclohexylpropanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-2-hydroxy-5-oxopentanamide
CID 58263008
2-hydroxy-2-[(3S,13R,16S,17R,19S)-3,18,18-trimethyl-2,15-dioxo-1-azatricyclo[14.4.0.017,19]icosan-13-yl]acetamide
CID 58311249
2-hydroxy-2-[(3S,14R,17S)-3,19,19-trimethyl-2,16-dioxo-1-azatricyclo[15.4.0.018,20]henicosan-14-yl]acetamide
CID 58311263
2-hydroxy-2-[(3S,14R,17S,18R,20S)-3,19,19-trimethyl-2,16-dioxo-1-azatricyclo[15.4.0.018,20]henicosan-14-yl]acetamide
CID 58311438
(2S,5S)-5-amino-2-tert-butyl-1-[(5R,8S)-8-[(3R)-6-cyclopropyl-4-hydroxy-5-oxo-3-propylhexanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-7-yl]-6,6-dimethylheptane-1,4-dione
CID 58509884
3-(cyclobutylmethyl)-2-hydroxy-5-oxo-5-[(5R,8S)-7,10,10-trimethyl-7-azadispiro[3.0.45.14]decan-8-yl]pentanamide
CID 58509885
(2S)-N-[(1S,4S)-1-cyclohexyl-4-[(5R,8S)-8-[(3R)-6-cyclopropyl-4-hydroxy-5-oxo-3-propylhexanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decane-7-carbonyl]-5,5-dimethyl-2-oxohexyl]-1-propan-2-ylpiperidine-2-carboxamide
CID 58509892
(2S,5S)-2-tert-butyl-1-[(5R,8S)-8-[(3R)-6-cyclopropyl-4-hydroxy-5-oxo-3-propylhexanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-7-yl]-6,6-dimethyl-5-(methylamino)heptane-1,4-dione
CID 58509909
(3R)-1-[(5R,8S)-7-[(2S)-2-amino-3,3-dimethylbutanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-8-yl]-6-cyclopropyl-4-hydroxy-3-propylhexane-1,5-dione
CID 58509926
3-(cyclobutylmethyl)-5-[(5R,8S)-7-[(2S)-2-ethyl-3,3-dimethylbutanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-8-yl]-2-hydroxy-5-oxopentanamide
CID 58509930

Frequently Asked Questions

What is the IUPAC name of 5-[(8S)-7-[(2S)-2-amino-3,3-dimethylbutanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-8-yl]-3-(cyclobutylmethyl)-2-hydroxy-5-oxopentanamide?
The IUPAC name of 5-[(8S)-7-[(2S)-2-amino-3,3-dimethylbutanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-8-yl]-3-(cyclobutylmethyl)-2-hydroxy-5-oxopentanamide (CID 59630829) is 5-[(8S)-7-[(2S)-2-amino-3,3-dimethylbutanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-8-yl]-3-(cyclobutylmethyl)-2-hydroxy-5-oxopentanamide.
What is the SMILES notation for 5-[(8S)-7-[(2S)-2-amino-3,3-dimethylbutanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-8-yl]-3-(cyclobutylmethyl)-2-hydroxy-5-oxopentanamide?
The canonical SMILES for 5-[(8S)-7-[(2S)-2-amino-3,3-dimethylbutanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-8-yl]-3-(cyclobutylmethyl)-2-hydroxy-5-oxopentanamide is CC(C)(C)[C@H](N)C(=O)N1CC2(C[C@H]1C(=O)CC(CC1CCC1)C(O)C(N)=O)C(C)(C)C21CCC1.
What is the InChIKey of 5-[(8S)-7-[(2S)-2-amino-3,3-dimethylbutanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-8-yl]-3-(cyclobutylmethyl)-2-hydroxy-5-oxopentanamide?
The InChIKey is WGYKXPLLSUCKER-HYVUUAPQSA-N. The full InChI is InChI=1S/C27H45N3O4/c1-24(2,3)21(28)23(34)30-15-27(25(4,5)26(27)10-7-11-26)14-18(30)19(31)13-17(20(32)22(29)33)12-16-8-6-9-16/h16-18,20-21,32H,6-15,28H2,1-5H3,(H2,29,33)/t17?,18-,20?,21+,27?/m0/s1.
What are the key properties of 5-[(8S)-7-[(2S)-2-amino-3,3-dimethylbutanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-8-yl]-3-(cyclobutylmethyl)-2-hydroxy-5-oxopentanamide?
5-[(8S)-7-[(2S)-2-amino-3,3-dimethylbutanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-8-yl]-3-(cyclobutylmethyl)-2-hydroxy-5-oxopentanamide has a molecular weight of 475.67 g/mol, XLogP of 2.77, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(8S)-7-[(2S)-2-amino-3,3-dimethylbutanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-8-yl]-3-(cyclobutylmethyl)-2-hydroxy-5-oxopentanamide is sourced from PubChem (CID 59630829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).