ethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]acetate

C11H22N2O4 — CID 23215583

IUPACethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]acetate
SMILESCCOC(=O)CNC(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O4/c1-6-16-9(14)7-12-8(2)13-10(15)17-11(3,4)5/h8,12H,6-7H2,1-5H3,(H,13,15)
InChIKeyQDCNVUXRDXCCPF-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.01
Rot. Bonds5

About ethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]acetate

ethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]acetate (PubChem CID 23215583) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is ethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]acetate
PubChem CID23215583
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Nameethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]acetate
SMILESCCOC(=O)CNC(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O4/c1-6-16-9(14)7-12-8(2)13-10(15)17-11(3,4)5/h8,12H,6-7H2,1-5H3,(H,13,15)
InChIKeyQDCNVUXRDXCCPF-UHFFFAOYSA-N
XLogP1.01
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]acetate?
The IUPAC name of ethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]acetate (CID 23215583) is ethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]acetate.
What is the SMILES notation for ethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]acetate?
The canonical SMILES for ethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]acetate is CCOC(=O)CNC(C)NC(=O)OC(C)(C)C.
What is the InChIKey of ethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]acetate?
The InChIKey is QDCNVUXRDXCCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-6-16-9(14)7-12-8(2)13-10(15)17-11(3,4)5/h8,12H,6-7H2,1-5H3,(H,13,15).
What are the key properties of ethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]acetate?
ethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]acetate has a molecular weight of 246.31 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]acetate is sourced from PubChem (CID 23215583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).