tert-butyl 2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoate

C12H24N2O3 — CID 15689538

IUPACtert-butyl 2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoate
SMILESCC(C)(C)OC(=O)C(C)(C)NC(=O)C(C)(C)N
InChIInChI=1S/C12H24N2O3/c1-10(2,3)17-9(16)12(6,7)14-8(15)11(4,5)13/h13H2,1-7H3,(H,14,15)
InChIKeyZAEZKGGGRJFKFA-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.96
Rot. Bonds3

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

tert-butyl 2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoate (PubChem CID 15689538) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is tert-butyl 2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Nametert-butyl 2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoate
PubChem CID15689538
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nametert-butyl 2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoate
SMILESCC(C)(C)OC(=O)C(C)(C)NC(=O)C(C)(C)N
InChIInChI=1S/C12H24N2O3/c1-10(2,3)17-9(16)12(6,7)14-8(15)11(4,5)13/h13H2,1-7H3,(H,14,15)
InChIKeyZAEZKGGGRJFKFA-UHFFFAOYSA-N
XLogP0.96
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
tert-butyl 2-methyl-2-(methylamino)propanoate
CID 20649466
tert-butyl 2-(chloroamino)-2-methylpropanoate
CID 88577457
tert-butyl (2S)-2-amino-2-methyl-3-(methylamino)-3-oxopropanoate
CID 57038729
tert-butyl (2R)-2-amino-2-hydroxypropanoate
CID 88686968
methyl 2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-2-methylpropanoate
CID 65264360
tert-butyl 2-methyl-2-[[2-methyl-2-[[2-methyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]propanoate
CID 5256418
tert-butyl (2S)-2-[[(2S)-2-amino-2,3-dimethylbutanoyl]amino]-2,3-dimethylbutanoate
CID 11415372
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
methyl 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 15853247
propan-2-yl 2-amino-2-methylpropanoate;propan-2-yl 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;hydrochloride
CID 159382523
tert-butyl 2-amino-2,2-diethoxyacetate
CID 87520437

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoate?
The IUPAC name of tert-butyl 2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoate (CID 15689538) is tert-butyl 2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoate.
What is the SMILES notation for tert-butyl 2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoate?
The canonical SMILES for tert-butyl 2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoate is CC(C)(C)OC(=O)C(C)(C)NC(=O)C(C)(C)N.
What is the InChIKey of tert-butyl 2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoate?
The InChIKey is ZAEZKGGGRJFKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-10(2,3)17-9(16)12(6,7)14-8(15)11(4,5)13/h13H2,1-7H3,(H,14,15).
What are the key properties of tert-butyl 2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoate?
tert-butyl 2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoate has a molecular weight of 244.33 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoate is sourced from PubChem (CID 15689538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).