tert-butyl 2-[[2-[[2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoate

C25H47N5O6 — CID 10649464

IUPACtert-butyl 2-[[2-[[2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoate
SMILESCC(C)[C@H](N)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)OC(C)(C)C
InChIInChI=1S/C25H47N5O6/c1-14(2)15(26)16(31)27-22(6,7)17(32)28-23(8,9)18(33)29-24(10,11)19(34)30-25(12,13)20(35)36-21(3,4)5/h14-15H,26H2,1-13H3,(H,27,31)(H,28,32)(H,29,33)(H,30,34)/t15-/m0/s1
InChIKeyYKQZBNMKTMKTJY-HNNXBMFYSA-N
MW513.68 g/mol
LogP0.89
Rot. Bonds10

About tert-butyl 2-[[2-[[2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoate

tert-butyl 2-[[2-[[2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoate (PubChem CID 10649464) has the molecular formula C25H47N5O6 and a molecular weight of 513.68 g/mol. Its IUPAC name is tert-butyl 2-[[2-[[2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoate.

Molecular Properties

Compound Nametert-butyl 2-[[2-[[2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoate
PubChem CID10649464
Molecular FormulaC25H47N5O6
Molecular Weight513.68 g/mol
Exact Mass513.35
IUPAC Nametert-butyl 2-[[2-[[2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoate
SMILESCC(C)[C@H](N)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)OC(C)(C)C
InChIInChI=1S/C25H47N5O6/c1-14(2)15(26)16(31)27-22(6,7)17(32)28-23(8,9)18(33)29-24(10,11)19(34)30-25(12,13)20(35)36-21(3,4)5/h14-15H,26H2,1-13H3,(H,27,31)(H,28,32)(H,29,33)(H,30,34)/t15-/m0/s1
InChIKeyYKQZBNMKTMKTJY-HNNXBMFYSA-N
XLogP0.89
TPSA168.72 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.68
LogP ≤ 50.89
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze tert-butyl 2-[[2-[[2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoate with MolForge

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Related Compounds

methyl 2-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-methylpropanoate
CID 79011701
tert-butyl 2-[[2-[[2-[[2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoate
CID 71614402
tert-butyl 2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoate
CID 15689538
(2R)-2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-methylbutanamide
CID 79013078
tert-butyl 2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoate
CID 87406078
tert-butyl 2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoate
CID 12944652
2-[[2-(2-aminopropanoylamino)-2-methylpropanoyl]amino]-2-methylpropanoic acid
CID 23422407
tert-butyl (2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoate;hydrochloride
CID 131713272
tert-butyl 2-methyl-2-[[(2S)-2-[[(2S)-2-[[2-methyl-2-[[2-methyl-2-[[2-methyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoate
CID 134825774
(2S)-2-amino-3-methyl-N-(3-methylpentan-3-yl)butanamide
CID 106328618
(2S)-2-amino-3-methylbutanoic acid;tert-butyl 2,2,2-trifluoroacetate
CID 175353458
tert-butyl 2-methyl-2-[[2-methyl-2-[[2-methyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]propanoate
CID 5256418

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[2-[[2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoate?
The IUPAC name of tert-butyl 2-[[2-[[2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoate (CID 10649464) is tert-butyl 2-[[2-[[2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoate.
What is the SMILES notation for tert-butyl 2-[[2-[[2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoate?
The canonical SMILES for tert-butyl 2-[[2-[[2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoate is CC(C)[C@H](N)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[[2-[[2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoate?
The InChIKey is YKQZBNMKTMKTJY-HNNXBMFYSA-N. The full InChI is InChI=1S/C25H47N5O6/c1-14(2)15(26)16(31)27-22(6,7)17(32)28-23(8,9)18(33)29-24(10,11)19(34)30-25(12,13)20(35)36-21(3,4)5/h14-15H,26H2,1-13H3,(H,27,31)(H,28,32)(H,29,33)(H,30,34)/t15-/m0/s1.
What are the key properties of tert-butyl 2-[[2-[[2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoate?
tert-butyl 2-[[2-[[2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoate has a molecular weight of 513.68 g/mol, XLogP of 0.89, 10 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[2-[[2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoate is sourced from PubChem (CID 10649464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).