ethyl 2-[(2-ethoxy-2-oxoethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate

C13H23NO6 — CID 129047570

IUPACethyl 2-[(2-ethoxy-2-oxoethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
SMILESCCOC(=O)CN(CC(=O)OCC)C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO6/c1-6-18-10(15)8-14(9-11(16)19-7-2)12(17)20-13(3,4)5/h6-9H2,1-5H3
InChIKeyUYKLOVPRJAUTBF-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.35
Rot. Bonds6

About ethyl 2-[(2-ethoxy-2-oxoethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate

ethyl 2-[(2-ethoxy-2-oxoethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate (PubChem CID 129047570) has the molecular formula C13H23NO6 and a molecular weight of 289.33 g/mol. Its IUPAC name is ethyl 2-[(2-ethoxy-2-oxoethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-ethoxy-2-oxoethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
PubChem CID129047570
Molecular FormulaC13H23NO6
Molecular Weight289.33 g/mol
Exact Mass289.15
IUPAC Nameethyl 2-[(2-ethoxy-2-oxoethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
SMILESCCOC(=O)CN(CC(=O)OCC)C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO6/c1-6-18-10(15)8-14(9-11(16)19-7-2)12(17)20-13(3,4)5/h6-9H2,1-5H3
InChIKeyUYKLOVPRJAUTBF-UHFFFAOYSA-N
XLogP1.35
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 2-[(2-ethoxy-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

N-(tert-Butoxycarbonyl)iminodiacetic Acid
CID 2755971
2-{[(Tert-butoxy)carbonyl](ethyl)amino}acetic acid
CID 12991451
2-{[(Tert-butoxy)carbonyl](2,2-dimethoxyethyl)amino}acetic acid
CID 86054098
Ethyl n-(ethoxycarbonyl)-n-methylglycinate
CID 265106
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
Ethyl 2-((tert-butoxycarbonyl)amino)acetate
CID 357729
Ethyl 2-(allyl(tert-butoxycarbonyl)amino)acetate
CID 10681689
Methyl 2-((tert-butoxycarbonyl)(methyl)amino)acetate
CID 14018930
Propyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 357715

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-ethoxy-2-oxoethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
The IUPAC name of ethyl 2-[(2-ethoxy-2-oxoethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate (CID 129047570) is ethyl 2-[(2-ethoxy-2-oxoethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[(2-ethoxy-2-oxoethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[(2-ethoxy-2-oxoethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate is CCOC(=O)CN(CC(=O)OCC)C(=O)OC(C)(C)C.
What is the InChIKey of ethyl 2-[(2-ethoxy-2-oxoethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
The InChIKey is UYKLOVPRJAUTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO6/c1-6-18-10(15)8-14(9-11(16)19-7-2)12(17)20-13(3,4)5/h6-9H2,1-5H3.
What are the key properties of ethyl 2-[(2-ethoxy-2-oxoethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
ethyl 2-[(2-ethoxy-2-oxoethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate has a molecular weight of 289.33 g/mol, XLogP of 1.35, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-ethoxy-2-oxoethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate is sourced from PubChem (CID 129047570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).