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

C11H19NO6 — CID 11054434

IUPACmethyl 2-[(2-methoxy-2-oxoethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)C(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO6/c1-11(2,3)18-10(15)12(6-8(13)16-4)7-9(14)17-5/h6-7H2,1-5H3
InChIKeySDNAAHQNLTURQV-UHFFFAOYSA-N
MW261.27 g/mol
LogP0.57
Rot. Bonds4

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

methyl 2-[(2-methoxy-2-oxoethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate (PubChem CID 11054434) has the molecular formula C11H19NO6 and a molecular weight of 261.27 g/mol. Its IUPAC name is methyl 2-[(2-methoxy-2-oxoethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-methoxy-2-oxoethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
PubChem CID11054434
Molecular FormulaC11H19NO6
Molecular Weight261.27 g/mol
Exact Mass261.12
IUPAC Namemethyl 2-[(2-methoxy-2-oxoethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)C(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO6/c1-11(2,3)18-10(15)12(6-8(13)16-4)7-9(14)17-5/h6-7H2,1-5H3
InChIKeySDNAAHQNLTURQV-UHFFFAOYSA-N
XLogP0.57
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 2-[(2-methoxy-2-oxoethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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](2-methylpropyl)amino}acetic acid
CID 23033833
2-[2,2-Dimethoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 86054098
2-{[(Tert-butoxy)carbonyl](propan-2-yl)amino}acetic acid
CID 10465935
2-(((Tert-butoxy)carbonyl)(propyl)amino)acetic acid
CID 12136629
2-{[(Tert-butoxy)carbonyl](2-methoxyethyl)amino}acetic acid
CID 54593434
Methyl 2-([2-(tert-butoxy)-2-oxoethyl](2-methoxy-2-oxoethyl)amino)acetate
CID 62954172
2-{[(Tert-butoxy)carbonyl](2-methoxy-2-oxoethyl)amino}acetic acid
CID 87566391
2-{[(Tert-butoxy)carbonyl](3-methoxy-3-oxopropyl)amino}acetic acid
CID 165997997
Methyl 2-((tert-butoxycarbonyl)(methyl)amino)acetate
CID 14018930

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
The IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate (CID 11054434) is methyl 2-[(2-methoxy-2-oxoethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[(2-methoxy-2-oxoethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
The canonical SMILES for methyl 2-[(2-methoxy-2-oxoethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate is COC(=O)CN(CC(=O)OC)C(=O)OC(C)(C)C.
What is the InChIKey of methyl 2-[(2-methoxy-2-oxoethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
The InChIKey is SDNAAHQNLTURQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO6/c1-11(2,3)18-10(15)12(6-8(13)16-4)7-9(14)17-5/h6-7H2,1-5H3.
What are the key properties of methyl 2-[(2-methoxy-2-oxoethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
methyl 2-[(2-methoxy-2-oxoethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate has a molecular weight of 261.27 g/mol, XLogP of 0.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methoxy-2-oxoethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate is sourced from PubChem (CID 11054434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).