tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

C11H21NO4 — CID 4097102

IUPACtert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCC(C)(C)OC(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO4/c1-10(2,3)15-8(13)7-12-9(14)16-11(4,5)6/h7H2,1-6H3,(H,12,14)
InChIKeyZDKFMHKWZATBMR-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.85
Rot. Bonds2

About tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (PubChem CID 4097102) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
PubChem CID4097102
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Nametert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCC(C)(C)OC(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO4/c1-10(2,3)15-8(13)7-12-9(14)16-11(4,5)6/h7H2,1-6H3,(H,12,14)
InChIKeyZDKFMHKWZATBMR-UHFFFAOYSA-N
XLogP1.85
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The IUPAC name of tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (CID 4097102) is tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.
What is the SMILES notation for tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The canonical SMILES for tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is CC(C)(C)OC(=O)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The InChIKey is ZDKFMHKWZATBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-10(2,3)15-8(13)7-12-9(14)16-11(4,5)6/h7H2,1-6H3,(H,12,14).
What are the key properties of tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate has a molecular weight of 231.29 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is sourced from PubChem (CID 4097102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).