methyl 2-[2-ethoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate

C12H23NO5 — CID 167104288

IUPACmethyl 2-[2-ethoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
SMILESCCOCCN(CC(=O)OC)C(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO5/c1-6-17-8-7-13(9-10(14)16-5)11(15)18-12(2,3)4/h6-9H2,1-5H3
InChIKeyNUIALQBATCFRMJ-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.43
Rot. Bonds6

About methyl 2-[2-ethoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate

methyl 2-[2-ethoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate (PubChem CID 167104288) has the molecular formula C12H23NO5 and a molecular weight of 261.32 g/mol. Its IUPAC name is methyl 2-[2-ethoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[2-ethoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
PubChem CID167104288
Molecular FormulaC12H23NO5
Molecular Weight261.32 g/mol
Exact Mass261.16
IUPAC Namemethyl 2-[2-ethoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
SMILESCCOCCN(CC(=O)OC)C(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO5/c1-6-17-8-7-13(9-10(14)16-5)11(15)18-12(2,3)4/h6-9H2,1-5H3
InChIKeyNUIALQBATCFRMJ-UHFFFAOYSA-N
XLogP1.43
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.43
H-Bond Donors ≤ 50
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 methyl 2-[2-ethoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
The IUPAC name of methyl 2-[2-ethoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate (CID 167104288) is methyl 2-[2-ethoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[2-ethoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
The canonical SMILES for methyl 2-[2-ethoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate is CCOCCN(CC(=O)OC)C(=O)OC(C)(C)C.
What is the InChIKey of methyl 2-[2-ethoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
The InChIKey is NUIALQBATCFRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO5/c1-6-17-8-7-13(9-10(14)16-5)11(15)18-12(2,3)4/h6-9H2,1-5H3.
What are the key properties of methyl 2-[2-ethoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
methyl 2-[2-ethoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate has a molecular weight of 261.32 g/mol, XLogP of 1.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-ethoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate is sourced from PubChem (CID 167104288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).