tert-butyl (2S)-2-[[(2S)-2-amino-2,3-dimethylbutanoyl]amino]-2,3-dimethylbutanoate

C16H32N2O3 — CID 11415372

IUPACtert-butyl (2S)-2-[[(2S)-2-amino-2,3-dimethylbutanoyl]amino]-2,3-dimethylbutanoate
SMILESCC(C)[C@](C)(N)C(=O)N[C@](C)(C(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C16H32N2O3/c1-10(2)15(8,17)12(19)18-16(9,11(3)4)13(20)21-14(5,6)7/h10-11H,17H2,1-9H3,(H,18,19)/t15-,16-/m0/s1
InChIKeyUQJCEELINPFANI-HOTGVXAUSA-N
MW300.44 g/mol
LogP2.23
Rot. Bonds5

About tert-butyl (2S)-2-[[(2S)-2-amino-2,3-dimethylbutanoyl]amino]-2,3-dimethylbutanoate

tert-butyl (2S)-2-[[(2S)-2-amino-2,3-dimethylbutanoyl]amino]-2,3-dimethylbutanoate (PubChem CID 11415372) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is tert-butyl (2S)-2-[[(2S)-2-amino-2,3-dimethylbutanoyl]amino]-2,3-dimethylbutanoate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[[(2S)-2-amino-2,3-dimethylbutanoyl]amino]-2,3-dimethylbutanoate
PubChem CID11415372
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Nametert-butyl (2S)-2-[[(2S)-2-amino-2,3-dimethylbutanoyl]amino]-2,3-dimethylbutanoate
SMILESCC(C)[C@](C)(N)C(=O)N[C@](C)(C(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C16H32N2O3/c1-10(2)15(8,17)12(19)18-16(9,11(3)4)13(20)21-14(5,6)7/h10-11H,17H2,1-9H3,(H,18,19)/t15-,16-/m0/s1
InChIKeyUQJCEELINPFANI-HOTGVXAUSA-N
XLogP2.23
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl (2S)-2-[[(2S)-2-amino-2,3-dimethylbutanoyl]amino]-2,3-dimethylbutanoate with MolForge

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Related Compounds

tert-butyl 2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoate
CID 15689538
methyl (2R)-2-(methoxycarbonylamino)-2,3-dimethylbutanoate
CID 160630630
tert-butyl (2S)-2-amino-2-methyl-3-(methylamino)-3-oxopropanoate
CID 57038729
tert-butyl (2R)-2-amino-2-hydroxypropanoate
CID 88686968
propan-2-yl 2-amino-2,3-dimethylbutanoate
CID 18780772
3-O-tert-butyl 1-O-methyl 2-amino-2-(2-methylpropyl)propanedioate
CID 142841026
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
(2S)-2-amino-2,3-dimethylbutanamide
CID 10154071
tert-butyl (4S)-2-hydroxy-2-methyl-4-(methylamino)-3-oxopentanoate
CID 87472628
tert-butyl 2-amino-2,2-diethoxyacetate
CID 87520437
ethyl 2,3-dimethyl-2-(prop-2-ynylamino)butanoate
CID 62487244
tert-butyl (2R)-2-(2,2-dimethylpropanoylamino)propanoate
CID 81004146

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[[(2S)-2-amino-2,3-dimethylbutanoyl]amino]-2,3-dimethylbutanoate?
The IUPAC name of tert-butyl (2S)-2-[[(2S)-2-amino-2,3-dimethylbutanoyl]amino]-2,3-dimethylbutanoate (CID 11415372) is tert-butyl (2S)-2-[[(2S)-2-amino-2,3-dimethylbutanoyl]amino]-2,3-dimethylbutanoate.
What is the SMILES notation for tert-butyl (2S)-2-[[(2S)-2-amino-2,3-dimethylbutanoyl]amino]-2,3-dimethylbutanoate?
The canonical SMILES for tert-butyl (2S)-2-[[(2S)-2-amino-2,3-dimethylbutanoyl]amino]-2,3-dimethylbutanoate is CC(C)[C@](C)(N)C(=O)N[C@](C)(C(=O)OC(C)(C)C)C(C)C.
What is the InChIKey of tert-butyl (2S)-2-[[(2S)-2-amino-2,3-dimethylbutanoyl]amino]-2,3-dimethylbutanoate?
The InChIKey is UQJCEELINPFANI-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-10(2)15(8,17)12(19)18-16(9,11(3)4)13(20)21-14(5,6)7/h10-11H,17H2,1-9H3,(H,18,19)/t15-,16-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[[(2S)-2-amino-2,3-dimethylbutanoyl]amino]-2,3-dimethylbutanoate?
tert-butyl (2S)-2-[[(2S)-2-amino-2,3-dimethylbutanoyl]amino]-2,3-dimethylbutanoate has a molecular weight of 300.44 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[[(2S)-2-amino-2,3-dimethylbutanoyl]amino]-2,3-dimethylbutanoate is sourced from PubChem (CID 11415372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).