tert-butyl 2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoate

C14H28N2O3 — CID 12944652

IUPACtert-butyl 2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoate
SMILESCC(C)C(N)C(=O)NC(C(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C14H28N2O3/c1-8(2)10(15)12(17)16-11(9(3)4)13(18)19-14(5,6)7/h8-11H,15H2,1-7H3,(H,16,17)
InChIKeyVNUODZBPTSVIKG-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.45
Rot. Bonds5

About tert-butyl 2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoate

tert-butyl 2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoate (PubChem CID 12944652) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is tert-butyl 2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoate.

Molecular Properties

Compound Nametert-butyl 2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoate
PubChem CID12944652
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Nametert-butyl 2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoate
SMILESCC(C)C(N)C(=O)NC(C(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C14H28N2O3/c1-8(2)10(15)12(17)16-11(9(3)4)13(18)19-14(5,6)7/h8-11H,15H2,1-7H3,(H,16,17)
InChIKeyVNUODZBPTSVIKG-UHFFFAOYSA-N
XLogP1.45
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoate;hydrochloride
CID 131713272
tert-butyl 2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoate
CID 87406078
tert-butyl (2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-3-methylbutanoate
CID 58786092
tert-butyl (2S)-2-[[(2S)-3-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-methylbutanoate
CID 45380246
tert-butyl (2S)-2-[[(2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-3-methylbutanoate
CID 146161325
tert-butyl (2R)-3-methyl-2-(propan-2-ylcarbamoylamino)butanoate
CID 113331473
tert-butyl (2R)-3-methyl-2-(propan-2-yloxycarbonylamino)butanoate
CID 113331474
(2S)-3-methyl-2-[[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamoylamino]butanoic acid
CID 46900799
tert-butyl (2R)-2-(tert-butylcarbamoylamino)-3-methylbutanoate
CID 113331477
2-[[(2R)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]amino]but-2-enoic acid
CID 173252164
(2R)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoic acid
CID 6997293
(4S)-4-amino-5-[[(2S)-3-methyl-1-[[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
CID 131713273

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoate?
The IUPAC name of tert-butyl 2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoate (CID 12944652) is tert-butyl 2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoate.
What is the SMILES notation for tert-butyl 2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoate?
The canonical SMILES for tert-butyl 2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoate is CC(C)C(N)C(=O)NC(C(=O)OC(C)(C)C)C(C)C.
What is the InChIKey of tert-butyl 2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoate?
The InChIKey is VNUODZBPTSVIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-8(2)10(15)12(17)16-11(9(3)4)13(18)19-14(5,6)7/h8-11H,15H2,1-7H3,(H,16,17).
What are the key properties of tert-butyl 2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoate?
tert-butyl 2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoate has a molecular weight of 272.39 g/mol, XLogP of 1.45, 5 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-3-methylbutanoyl)amino]-3-methylbutanoate is sourced from PubChem (CID 12944652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).