tert-butyl (2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

C14H28N2O4 — CID 7006667

IUPACtert-butyl (2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
SMILESCC(C)(C)OC(=O)N[C@@H](CCCN)C(=O)OC(C)(C)C
InChIInChI=1S/C14H28N2O4/c1-13(2,3)19-11(17)10(8-7-9-15)16-12(18)20-14(4,5)6/h10H,7-9,15H2,1-6H3,(H,16,18)/t10-/m0/s1
InChIKeyXXIQPSQYSBWVII-JTQLQIEISA-N
MW288.39 g/mol
LogP1.96
Rot. Bonds5

About tert-butyl (2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

tert-butyl (2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate (PubChem CID 7006667) has the molecular formula C14H28N2O4 and a molecular weight of 288.39 g/mol. Its IUPAC name is tert-butyl (2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate.

Molecular Properties

Compound Nametert-butyl (2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
PubChem CID7006667
Molecular FormulaC14H28N2O4
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Nametert-butyl (2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
SMILESCC(C)(C)OC(=O)N[C@@H](CCCN)C(=O)OC(C)(C)C
InChIInChI=1S/C14H28N2O4/c1-13(2,3)19-11(17)10(8-7-9-15)16-12(18)20-14(4,5)6/h10H,7-9,15H2,1-6H3,(H,16,18)/t10-/m0/s1
InChIKeyXXIQPSQYSBWVII-JTQLQIEISA-N
XLogP1.96
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The IUPAC name of tert-butyl (2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate (CID 7006667) is tert-butyl (2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate.
What is the SMILES notation for tert-butyl (2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The canonical SMILES for tert-butyl (2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate is CC(C)(C)OC(=O)N[C@@H](CCCN)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The InChIKey is XXIQPSQYSBWVII-JTQLQIEISA-N. The full InChI is InChI=1S/C14H28N2O4/c1-13(2,3)19-11(17)10(8-7-9-15)16-12(18)20-14(4,5)6/h10H,7-9,15H2,1-6H3,(H,16,18)/t10-/m0/s1.
What are the key properties of tert-butyl (2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
tert-butyl (2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate has a molecular weight of 288.39 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate is sourced from PubChem (CID 7006667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).