methyl 3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoate

C36H66N6O9 — CID 15384249

IUPACmethyl 3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoate
SMILESCOC(=O)CC(C)(C)NC(=O)CC(C)(C)NC(=O)CC(C)(C)NC(=O)CC(C)(C)NC(=O)CC(C)(C)NC(=O)CC(C)(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C36H66N6O9/c1-30(2,3)51-29(49)42-35(12,13)21-27(47)40-33(8,9)19-25(45)38-31(4,5)17-23(43)37-32(6,7)18-24(44)39-34(10,11)20-26(46)41-36(14,15)22-28(48)50-16/h17-22H2,1-16H3,(H,37,43)(H,38,45)(H,39,44)(H,40,47)(H,41,46)(H,42,49)
InChIKeyMUCSRQXEAVQYJC-UHFFFAOYSA-N
MW726.96 g/mol
LogP3.28
Rot. Bonds18

About methyl 3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoate

methyl 3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoate (PubChem CID 15384249) has the molecular formula C36H66N6O9 and a molecular weight of 726.96 g/mol. Its IUPAC name is methyl 3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoate.

Molecular Properties

Compound Namemethyl 3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoate
PubChem CID15384249
Molecular FormulaC36H66N6O9
Molecular Weight726.96 g/mol
Exact Mass726.49
IUPAC Namemethyl 3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoate
SMILESCOC(=O)CC(C)(C)NC(=O)CC(C)(C)NC(=O)CC(C)(C)NC(=O)CC(C)(C)NC(=O)CC(C)(C)NC(=O)CC(C)(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C36H66N6O9/c1-30(2,3)51-29(49)42-35(12,13)21-27(47)40-33(8,9)19-25(45)38-31(4,5)17-23(43)37-32(6,7)18-24(44)39-34(10,11)20-26(46)41-36(14,15)22-28(48)50-16/h17-22H2,1-16H3,(H,37,43)(H,38,45)(H,39,44)(H,40,47)(H,41,46)(H,42,49)
InChIKeyMUCSRQXEAVQYJC-UHFFFAOYSA-N
XLogP3.28
TPSA210.13 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.96
LogP ≤ 53.28
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Analyze methyl 3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoate with MolForge

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Related Compounds

tert-butyl N-(2-methyl-4-oxobutan-2-yl)carbamate
CID 11788901
tert-butyl N-(1-amino-2-methylpropan-2-yl)carbamate;hydrochloride
CID 45072479
4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoic acid
CID 102113261
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate;propane
CID 144755686
methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 11687095
[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 2,2-dimethylpropanoate
CID 71907535
methyl N-[4-(methoxycarbonylamino)-2,4-dimethylpentan-2-yl]carbamate
CID 88863473
tert-butyl N-[1-(1,1-dimethoxypropan-2-ylamino)-2-methylpropan-2-yl]carbamate
CID 107249962
methyl 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 15853247
tert-butyl 3-(tert-butylamino)-3-methylbutanoate
CID 173368452
tert-butyl N-[(Z)-4-cyano-5-(dimethylamino)-2-methylpent-4-en-2-yl]carbamate
CID 130466053
diethyl (2R)-2-carbamoyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
CID 86661710

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoate?
The IUPAC name of methyl 3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoate (CID 15384249) is methyl 3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoate.
What is the SMILES notation for methyl 3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoate?
The canonical SMILES for methyl 3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoate is COC(=O)CC(C)(C)NC(=O)CC(C)(C)NC(=O)CC(C)(C)NC(=O)CC(C)(C)NC(=O)CC(C)(C)NC(=O)CC(C)(C)NC(=O)OC(C)(C)C.
What is the InChIKey of methyl 3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoate?
The InChIKey is MUCSRQXEAVQYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H66N6O9/c1-30(2,3)51-29(49)42-35(12,13)21-27(47)40-33(8,9)19-25(45)38-31(4,5)17-23(43)37-32(6,7)18-24(44)39-34(10,11)20-26(46)41-36(14,15)22-28(48)50-16/h17-22H2,1-16H3,(H,37,43)(H,38,45)(H,39,44)(H,40,47)(H,41,46)(H,42,49).
What are the key properties of methyl 3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoate?
methyl 3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoate has a molecular weight of 726.96 g/mol, XLogP of 3.28, 18 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoate is sourced from PubChem (CID 15384249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).