methyl 2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetyl]amino]acetyl]amino]acetate

C12H21N3O7 — CID 134514742

IUPACmethyl 2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetyl]amino]acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)CNC(=O)CONC(=O)OC(C)(C)C
InChIInChI=1S/C12H21N3O7/c1-12(2,3)22-11(19)15-21-7-9(17)13-5-8(16)14-6-10(18)20-4/h5-7H2,1-4H3,(H,13,17)(H,14,16)(H,15,19)
InChIKeyDFLMTDDUMGPNHT-UHFFFAOYSA-N
MW319.31 g/mol
LogP-1.15
Rot. Bonds7

About methyl 2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetyl]amino]acetyl]amino]acetate

methyl 2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetyl]amino]acetyl]amino]acetate (PubChem CID 134514742) has the molecular formula C12H21N3O7 and a molecular weight of 319.31 g/mol. Its IUPAC name is methyl 2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetyl]amino]acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetyl]amino]acetyl]amino]acetate
PubChem CID134514742
Molecular FormulaC12H21N3O7
Molecular Weight319.31 g/mol
Exact Mass319.14
IUPAC Namemethyl 2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetyl]amino]acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)CNC(=O)CONC(=O)OC(C)(C)C
InChIInChI=1S/C12H21N3O7/c1-12(2,3)22-11(19)15-21-7-9(17)13-5-8(16)14-6-10(18)20-4/h5-7H2,1-4H3,(H,13,17)(H,14,16)(H,15,19)
InChIKeyDFLMTDDUMGPNHT-UHFFFAOYSA-N
XLogP-1.15
TPSA132.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl 2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetyl]amino]acetyl]amino]acetate with MolForge

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Related Compounds

tert-butyl N-[2-(ethylamino)-2-oxoethoxy]carbamate
CID 88940321
methyl 2-[2-[2-[[2-[2-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetate
CID 146808524
tert-butyl N-[2-[2-[2-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetyl]amino]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]carbamate
CID 59658355
tert-butyl N-[2-(2-aminoethylamino)-2-oxoethoxy]carbamate
CID 87181188
tert-butyl N-[2-[2-[2-[2-[(2-aminooxyacetyl)amino]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]carbamate
CID 121257831
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate;propane
CID 144755686
tert-butyl N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]carbamate
CID 14236095
tert-butyl N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 126589495
tert-butyl N-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethylamino]-2-oxoethoxy]carbamate
CID 153344874
prop-2-ynyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetate
CID 46702962
2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetyl]oxyethoxy]ethoxy]ethyl 4-oxopentanoate
CID 118135667
tert-butyl N-[2-[2-[2-(5-methyl-4-oxohex-5-enoxy)ethoxy]ethylamino]-2-oxoethoxy]carbamate
CID 123612457

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetyl]amino]acetyl]amino]acetate?
The IUPAC name of methyl 2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetyl]amino]acetyl]amino]acetate (CID 134514742) is methyl 2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetyl]amino]acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetyl]amino]acetyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetyl]amino]acetyl]amino]acetate is COC(=O)CNC(=O)CNC(=O)CONC(=O)OC(C)(C)C.
What is the InChIKey of methyl 2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetyl]amino]acetyl]amino]acetate?
The InChIKey is DFLMTDDUMGPNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O7/c1-12(2,3)22-11(19)15-21-7-9(17)13-5-8(16)14-6-10(18)20-4/h5-7H2,1-4H3,(H,13,17)(H,14,16)(H,15,19).
What are the key properties of methyl 2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetyl]amino]acetyl]amino]acetate?
methyl 2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetyl]amino]acetyl]amino]acetate has a molecular weight of 319.31 g/mol, XLogP of -1.15, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetyl]amino]acetyl]amino]acetate is sourced from PubChem (CID 134514742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).