tert-butyl 2-(2-amino-2-oxoethyl)-5-[4-[2-(2-amino-2-oxoethyl)-3-hydroxy-5-(2-methylpropanoyl)-2,5,8-triazaspiro[3.5]nonane-8-carbonyl]oxy-4-methylpentanoyl]-3-oxo-2,5,8-triazaspiro[3.5]nonane-8-carboxylate

C32H52N8O10 — CID 134241878

IUPACtert-butyl 2-(2-amino-2-oxoethyl)-5-[4-[2-(2-amino-2-oxoethyl)-3-hydroxy-5-(2-methylpropanoyl)-2,5,8-triazaspiro[3.5]nonane-8-carbonyl]oxy-4-methylpentanoyl]-3-oxo-2,5,8-triazaspiro[3.5]nonane-8-carboxylate
SMILESCC(C)C(=O)N1CCN(C(=O)OC(C)(C)CCC(=O)N2CCN(C(=O)OC(C)(C)C)CC23CN(CC(N)=O)C3=O)CC12CN(CC(N)=O)C2O
InChIInChI=1S/C32H52N8O10/c1-20(2)24(44)40-13-11-36(17-32(40)19-38(26(32)46)15-22(34)42)28(48)50-30(6,7)9-8-23(43)39-12-10-35(27(47)49-29(3,4)5)16-31(39)18-37(25(31)45)14-21(33)41/h20,26,46H,8-19H2,1-7H3,(H2,33,41)(H2,34,42)
InChIKeyOUZBAVKKOVSXHM-UHFFFAOYSA-N
MW708.81 g/mol
LogP-1.51
Rot. Bonds9

About tert-butyl 2-(2-amino-2-oxoethyl)-5-[4-[2-(2-amino-2-oxoethyl)-3-hydroxy-5-(2-methylpropanoyl)-2,5,8-triazaspiro[3.5]nonane-8-carbonyl]oxy-4-methylpentanoyl]-3-oxo-2,5,8-triazaspiro[3.5]nonane-8-carboxylate

tert-butyl 2-(2-amino-2-oxoethyl)-5-[4-[2-(2-amino-2-oxoethyl)-3-hydroxy-5-(2-methylpropanoyl)-2,5,8-triazaspiro[3.5]nonane-8-carbonyl]oxy-4-methylpentanoyl]-3-oxo-2,5,8-triazaspiro[3.5]nonane-8-carboxylate (PubChem CID 134241878) has the molecular formula C32H52N8O10 and a molecular weight of 708.81 g/mol. Its IUPAC name is tert-butyl 2-(2-amino-2-oxoethyl)-5-[4-[2-(2-amino-2-oxoethyl)-3-hydroxy-5-(2-methylpropanoyl)-2,5,8-triazaspiro[3.5]nonane-8-carbonyl]oxy-4-methylpentanoyl]-3-oxo-2,5,8-triazaspiro[3.5]nonane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(2-amino-2-oxoethyl)-5-[4-[2-(2-amino-2-oxoethyl)-3-hydroxy-5-(2-methylpropanoyl)-2,5,8-triazaspiro[3.5]nonane-8-carbonyl]oxy-4-methylpentanoyl]-3-oxo-2,5,8-triazaspiro[3.5]nonane-8-carboxylate
PubChem CID134241878
Molecular FormulaC32H52N8O10
Molecular Weight708.81 g/mol
Exact Mass708.38
IUPAC Nametert-butyl 2-(2-amino-2-oxoethyl)-5-[4-[2-(2-amino-2-oxoethyl)-3-hydroxy-5-(2-methylpropanoyl)-2,5,8-triazaspiro[3.5]nonane-8-carbonyl]oxy-4-methylpentanoyl]-3-oxo-2,5,8-triazaspiro[3.5]nonane-8-carboxylate
SMILESCC(C)C(=O)N1CCN(C(=O)OC(C)(C)CCC(=O)N2CCN(C(=O)OC(C)(C)C)CC23CN(CC(N)=O)C3=O)CC12CN(CC(N)=O)C2O
InChIInChI=1S/C32H52N8O10/c1-20(2)24(44)40-13-11-36(17-32(40)19-38(26(32)46)15-22(34)42)28(48)50-30(6,7)9-8-23(43)39-12-10-35(27(47)49-29(3,4)5)16-31(39)18-37(25(31)45)14-21(33)41/h20,26,46H,8-19H2,1-7H3,(H2,33,41)(H2,34,42)
InChIKeyOUZBAVKKOVSXHM-UHFFFAOYSA-N
XLogP-1.51
TPSA229.66 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.81
LogP ≤ 5-1.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze tert-butyl 2-(2-amino-2-oxoethyl)-5-[4-[2-(2-amino-2-oxoethyl)-3-hydroxy-5-(2-methylpropanoyl)-2,5,8-triazaspiro[3.5]nonane-8-carbonyl]oxy-4-methylpentanoyl]-3-oxo-2,5,8-triazaspiro[3.5]nonane-8-carboxylate with MolForge

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Related Compounds

tert-butyl 2-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-hydroxy-5-(2-methylpropanoyl)-2,5,8-triazaspiro[3.5]nonane-8-carboxylate
CID 134241877
tert-butyl 5-acetyl-2-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-oxo-2,5,8-triazaspiro[3.5]nonane-8-carboxylate
CID 134241865
tert-butyl 2-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-2-oxoethyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
CID 134486910
tert-butyl 2-[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]-5-methyl-3-oxo-2,5,8-triazaspiro[3.5]nonane-8-carboxylate
CID 134241870
tert-butyl 4-(2-methylpropanoyl)piperazine-1-carboxylate;2-methyl-1-piperazin-1-ylpropan-1-one
CID 159250302
tert-butyl 3-amino-3-(trifluoromethyl)azetidine-1-carboxylate
CID 50986404
tert-butyl 4-[(2R)-2-aminopropanoyl]piperazine-1-carboxylate
CID 28505550
tert-butyl 2-[(5R)-7-(2-amino-2-oxoethyl)-6-oxo-1,7-diazaspiro[4.4]nonane-1-carbonyl]pyrrolidine-1-carboxylate
CID 10250034
2-tert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1,2-dicarboxylic acid
CID 90868223
tert-butyl 2-(2-aminopropyl)-5-azaspiro[2.4]heptane-5-carboxylate
CID 84708274
tert-butyl 3,3-dimethyl-4-methylidenepiperidine-1-carboxylate
CID 10632966
tert-butyl 3,3-difluoropyrrolidine-1-carboxylate
CID 18542424

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-amino-2-oxoethyl)-5-[4-[2-(2-amino-2-oxoethyl)-3-hydroxy-5-(2-methylpropanoyl)-2,5,8-triazaspiro[3.5]nonane-8-carbonyl]oxy-4-methylpentanoyl]-3-oxo-2,5,8-triazaspiro[3.5]nonane-8-carboxylate?
The IUPAC name of tert-butyl 2-(2-amino-2-oxoethyl)-5-[4-[2-(2-amino-2-oxoethyl)-3-hydroxy-5-(2-methylpropanoyl)-2,5,8-triazaspiro[3.5]nonane-8-carbonyl]oxy-4-methylpentanoyl]-3-oxo-2,5,8-triazaspiro[3.5]nonane-8-carboxylate (CID 134241878) is tert-butyl 2-(2-amino-2-oxoethyl)-5-[4-[2-(2-amino-2-oxoethyl)-3-hydroxy-5-(2-methylpropanoyl)-2,5,8-triazaspiro[3.5]nonane-8-carbonyl]oxy-4-methylpentanoyl]-3-oxo-2,5,8-triazaspiro[3.5]nonane-8-carboxylate.
What is the SMILES notation for tert-butyl 2-(2-amino-2-oxoethyl)-5-[4-[2-(2-amino-2-oxoethyl)-3-hydroxy-5-(2-methylpropanoyl)-2,5,8-triazaspiro[3.5]nonane-8-carbonyl]oxy-4-methylpentanoyl]-3-oxo-2,5,8-triazaspiro[3.5]nonane-8-carboxylate?
The canonical SMILES for tert-butyl 2-(2-amino-2-oxoethyl)-5-[4-[2-(2-amino-2-oxoethyl)-3-hydroxy-5-(2-methylpropanoyl)-2,5,8-triazaspiro[3.5]nonane-8-carbonyl]oxy-4-methylpentanoyl]-3-oxo-2,5,8-triazaspiro[3.5]nonane-8-carboxylate is CC(C)C(=O)N1CCN(C(=O)OC(C)(C)CCC(=O)N2CCN(C(=O)OC(C)(C)C)CC23CN(CC(N)=O)C3=O)CC12CN(CC(N)=O)C2O.
What is the InChIKey of tert-butyl 2-(2-amino-2-oxoethyl)-5-[4-[2-(2-amino-2-oxoethyl)-3-hydroxy-5-(2-methylpropanoyl)-2,5,8-triazaspiro[3.5]nonane-8-carbonyl]oxy-4-methylpentanoyl]-3-oxo-2,5,8-triazaspiro[3.5]nonane-8-carboxylate?
The InChIKey is OUZBAVKKOVSXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H52N8O10/c1-20(2)24(44)40-13-11-36(17-32(40)19-38(26(32)46)15-22(34)42)28(48)50-30(6,7)9-8-23(43)39-12-10-35(27(47)49-29(3,4)5)16-31(39)18-37(25(31)45)14-21(33)41/h20,26,46H,8-19H2,1-7H3,(H2,33,41)(H2,34,42).
What are the key properties of tert-butyl 2-(2-amino-2-oxoethyl)-5-[4-[2-(2-amino-2-oxoethyl)-3-hydroxy-5-(2-methylpropanoyl)-2,5,8-triazaspiro[3.5]nonane-8-carbonyl]oxy-4-methylpentanoyl]-3-oxo-2,5,8-triazaspiro[3.5]nonane-8-carboxylate?
tert-butyl 2-(2-amino-2-oxoethyl)-5-[4-[2-(2-amino-2-oxoethyl)-3-hydroxy-5-(2-methylpropanoyl)-2,5,8-triazaspiro[3.5]nonane-8-carbonyl]oxy-4-methylpentanoyl]-3-oxo-2,5,8-triazaspiro[3.5]nonane-8-carboxylate has a molecular weight of 708.81 g/mol, XLogP of -1.51, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-amino-2-oxoethyl)-5-[4-[2-(2-amino-2-oxoethyl)-3-hydroxy-5-(2-methylpropanoyl)-2,5,8-triazaspiro[3.5]nonane-8-carbonyl]oxy-4-methylpentanoyl]-3-oxo-2,5,8-triazaspiro[3.5]nonane-8-carboxylate is sourced from PubChem (CID 134241878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).