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

C11H22N2O4 — CID 4319362

IUPACethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]acetate
SMILESCCOC(=O)CNCCNC(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O4/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)
InChIKeyWVFXXOLKYIPCAX-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.66
Rot. Bonds6

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

ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]acetate (PubChem CID 4319362) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]acetate
PubChem CID4319362
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Nameethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]acetate
SMILESCCOC(=O)CNCCNC(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O4/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)
InChIKeyWVFXXOLKYIPCAX-UHFFFAOYSA-N
XLogP0.66
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.66
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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Related Compounds

CID 4097102
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CID 333466
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CID 637609
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CID 9834393
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CID 11778552
CID 11778552
CID 12106198
CID 12106198
CID 15403805
CID 15403805
CID 22418648
CID 22418648
CID 375655
CID 375655
CID 10538259
CID 10538259
CID 11631103
CID 11631103
CID 60681794
CID 60681794

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]acetate?
The IUPAC name of ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]acetate (CID 4319362) is ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]acetate.
What is the SMILES notation for ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]acetate?
The canonical SMILES for ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]acetate is CCOC(=O)CNCCNC(=O)OC(C)(C)C.
What is the InChIKey of ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]acetate?
The InChIKey is WVFXXOLKYIPCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/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).
What are the key properties of ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]acetate?
ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]acetate has a molecular weight of 246.31 g/mol, XLogP of 0.66, 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 is sourced from PubChem (CID 4319362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).