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

C13H23NO6 — CID 11044445

IUPACmethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
SMILESCOC(=O)CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO6/c1-12(2,3)19-10(16)14(8-9(15)18-7)11(17)20-13(4,5)6/h8H2,1-7H3
InChIKeyKTEGTNCZWQLGMZ-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.33
Rot. Bonds2

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

methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate (PubChem CID 11044445) has the molecular formula C13H23NO6 and a molecular weight of 289.33 g/mol. Its IUPAC name is methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
PubChem CID11044445
Molecular FormulaC13H23NO6
Molecular Weight289.33 g/mol
Exact Mass289.15
IUPAC Namemethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
SMILESCOC(=O)CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO6/c1-12(2,3)19-10(16)14(8-9(15)18-7)11(17)20-13(4,5)6/h8H2,1-7H3
InChIKeyKTEGTNCZWQLGMZ-UHFFFAOYSA-N
XLogP2.33
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

Glycine, N-[(1,1-dimethylethoxy)carbonyl]-N-methyl-
CID 83692
N-(tert-Butoxycarbonyl)iminodiacetic Acid
CID 2755971
2-{[(Tert-butoxy)carbonyl](ethyl)amino}acetic acid
CID 12991451
2-(((Tert-butoxy)carbonyl)(propyl)amino)acetic acid
CID 12136629
di-tert-Butyl 2-oxoethyliminodicarboxylate
CID 21077911
2-{[(Tert-butoxy)carbonyl](2-methoxyethyl)amino}acetic acid
CID 54593434
2-{[(Tert-butoxy)carbonyl](2-methoxy-2-oxoethyl)amino}acetic acid
CID 87566391
Methyl 2-((tert-butoxycarbonyl)(methyl)amino)acetate
CID 14018930
Methyl 2-[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 90747194
2-(((Tert-butoxy)carbonyl)(2-hydroxy-2-methylpropyl)amino)acetic acid
CID 155858872
Ethyl 2-{bis[(tert-butoxy)carbonyl]amino}-2-fluoroacetate
CID 13594882
Tert-butyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-fluoroacetate
CID 14859121

Frequently Asked Questions

What is the IUPAC name of methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
The IUPAC name of methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate (CID 11044445) is methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
The canonical SMILES for methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate is COC(=O)CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
The InChIKey is KTEGTNCZWQLGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO6/c1-12(2,3)19-10(16)14(8-9(15)18-7)11(17)20-13(4,5)6/h8H2,1-7H3.
What are the key properties of methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate has a molecular weight of 289.33 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate is sourced from PubChem (CID 11044445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).