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

C11H21NO4 — CID 21263324

IUPACethyl 2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
SMILESCCOC(=O)CN(CC)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO4/c1-6-12(8-9(13)15-7-2)10(14)16-11(3,4)5/h6-8H2,1-5H3
InChIKeyWVNPVJHZXYQVAZ-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.81
Rot. Bonds4

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

ethyl 2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate (PubChem CID 21263324) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is ethyl 2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
PubChem CID21263324
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Nameethyl 2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
SMILESCCOC(=O)CN(CC)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO4/c1-6-12(8-9(13)15-7-2)10(14)16-11(3,4)5/h6-8H2,1-5H3
InChIKeyWVNPVJHZXYQVAZ-UHFFFAOYSA-N
XLogP1.81
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
The IUPAC name of ethyl 2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate (CID 21263324) is ethyl 2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate is CCOC(=O)CN(CC)C(=O)OC(C)(C)C.
What is the InChIKey of ethyl 2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
The InChIKey is WVNPVJHZXYQVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-6-12(8-9(13)15-7-2)10(14)16-11(3,4)5/h6-8H2,1-5H3.
What are the key properties of ethyl 2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
ethyl 2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate has a molecular weight of 231.29 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate is sourced from PubChem (CID 21263324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).