tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxoethyl)amino]acetate

C13H23NO5 — CID 15382677

IUPACtert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxoethyl)amino]acetate
SMILESCC(C)(C)OC(=O)CN(CC=O)C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO5/c1-12(2,3)18-10(16)9-14(7-8-15)11(17)19-13(4,5)6/h8H,7,9H2,1-6H3
InChIKeyNSSNBYMEMKVPLX-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.76
Rot. Bonds4

About tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxoethyl)amino]acetate

tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxoethyl)amino]acetate (PubChem CID 15382677) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxoethyl)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxoethyl)amino]acetate
PubChem CID15382677
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Nametert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxoethyl)amino]acetate
SMILESCC(C)(C)OC(=O)CN(CC=O)C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO5/c1-12(2,3)18-10(16)9-14(7-8-15)11(17)19-13(4,5)6/h8H,7,9H2,1-6H3
InChIKeyNSSNBYMEMKVPLX-UHFFFAOYSA-N
XLogP1.76
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxoethyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxoethyl)amino]acetate?
The IUPAC name of tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxoethyl)amino]acetate (CID 15382677) is tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxoethyl)amino]acetate.
What is the SMILES notation for tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxoethyl)amino]acetate?
The canonical SMILES for tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxoethyl)amino]acetate is CC(C)(C)OC(=O)CN(CC=O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxoethyl)amino]acetate?
The InChIKey is NSSNBYMEMKVPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5/c1-12(2,3)18-10(16)9-14(7-8-15)11(17)19-13(4,5)6/h8H,7,9H2,1-6H3.
What are the key properties of tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxoethyl)amino]acetate?
tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxoethyl)amino]acetate has a molecular weight of 273.33 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxoethyl)amino]acetate is sourced from PubChem (CID 15382677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).