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

C11H23ClN2O4 — CID 11778552

IUPACethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]acetate;hydrochloride
SMILESCCOC(=O)CNCCNC(=O)OC(C)(C)C.Cl
InChIInChI=1S/C11H22N2O4.ClH/c1-5-16-9(14)8-12-6-7-13-10(15)17-11(2,3)4;/h12H,5-8H2,1-4H3,(H,13,15);1H
InChIKeyCZTZMHQGYIOSNM-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.09
Rot. Bonds6

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

ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]acetate;hydrochloride (PubChem CID 11778552) has the molecular formula C11H23ClN2O4 and a molecular weight of 282.77 g/mol. Its IUPAC name is ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]acetate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]acetate;hydrochloride
PubChem CID11778552
Molecular FormulaC11H23ClN2O4
Molecular Weight282.77 g/mol
Exact Mass282.13
IUPAC Nameethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]acetate;hydrochloride
SMILESCCOC(=O)CNCCNC(=O)OC(C)(C)C.Cl
InChIInChI=1S/C11H22N2O4.ClH/c1-5-16-9(14)8-12-6-7-13-10(15)17-11(2,3)4;/h12H,5-8H2,1-4H3,(H,13,15);1H
InChIKeyCZTZMHQGYIOSNM-UHFFFAOYSA-N
XLogP1.09
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]acetate;hydrochloride?
The IUPAC name of ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]acetate;hydrochloride (CID 11778552) is ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]acetate;hydrochloride.
What is the SMILES notation for ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]acetate;hydrochloride?
The canonical SMILES for ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]acetate;hydrochloride is CCOC(=O)CNCCNC(=O)OC(C)(C)C.Cl.
What is the InChIKey of ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]acetate;hydrochloride?
The InChIKey is CZTZMHQGYIOSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4.ClH/c1-5-16-9(14)8-12-6-7-13-10(15)17-11(2,3)4;/h12H,5-8H2,1-4H3,(H,13,15);1H.
What are the key properties of ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]acetate;hydrochloride?
ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]acetate;hydrochloride has a molecular weight of 282.77 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]acetate;hydrochloride is sourced from PubChem (CID 11778552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).