tert-butyl 2-[[2-hydroxyethyl(methyl)carbamoyl]amino]acetate

C10H20N2O4 — CID 22723165

IUPACtert-butyl 2-[[2-hydroxyethyl(methyl)carbamoyl]amino]acetate
SMILESCN(CCO)C(=O)NCC(=O)OC(C)(C)C
InChIInChI=1S/C10H20N2O4/c1-10(2,3)16-8(14)7-11-9(15)12(4)5-6-13/h13H,5-7H2,1-4H3,(H,11,15)
InChIKeyGQAFZUOCDLBBBR-UHFFFAOYSA-N
MW232.28 g/mol
LogP-0.04
Rot. Bonds4

About tert-butyl 2-[[2-hydroxyethyl(methyl)carbamoyl]amino]acetate

tert-butyl 2-[[2-hydroxyethyl(methyl)carbamoyl]amino]acetate (PubChem CID 22723165) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is tert-butyl 2-[[2-hydroxyethyl(methyl)carbamoyl]amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[[2-hydroxyethyl(methyl)carbamoyl]amino]acetate
PubChem CID22723165
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Nametert-butyl 2-[[2-hydroxyethyl(methyl)carbamoyl]amino]acetate
SMILESCN(CCO)C(=O)NCC(=O)OC(C)(C)C
InChIInChI=1S/C10H20N2O4/c1-10(2,3)16-8(14)7-11-9(15)12(4)5-6-13/h13H,5-7H2,1-4H3,(H,11,15)
InChIKeyGQAFZUOCDLBBBR-UHFFFAOYSA-N
XLogP-0.04
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[2-hydroxyethyl(methyl)carbamoyl]amino]acetate?
The IUPAC name of tert-butyl 2-[[2-hydroxyethyl(methyl)carbamoyl]amino]acetate (CID 22723165) is tert-butyl 2-[[2-hydroxyethyl(methyl)carbamoyl]amino]acetate.
What is the SMILES notation for tert-butyl 2-[[2-hydroxyethyl(methyl)carbamoyl]amino]acetate?
The canonical SMILES for tert-butyl 2-[[2-hydroxyethyl(methyl)carbamoyl]amino]acetate is CN(CCO)C(=O)NCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[[2-hydroxyethyl(methyl)carbamoyl]amino]acetate?
The InChIKey is GQAFZUOCDLBBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-10(2,3)16-8(14)7-11-9(15)12(4)5-6-13/h13H,5-7H2,1-4H3,(H,11,15).
What are the key properties of tert-butyl 2-[[2-hydroxyethyl(methyl)carbamoyl]amino]acetate?
tert-butyl 2-[[2-hydroxyethyl(methyl)carbamoyl]amino]acetate has a molecular weight of 232.28 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[2-hydroxyethyl(methyl)carbamoyl]amino]acetate is sourced from PubChem (CID 22723165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).