tert-butyl N-(2-amino-2-oxoethyl)-N-(2-methoxyethyl)carbamate

C10H20N2O4 — CID 130748777

IUPACtert-butyl N-(2-amino-2-oxoethyl)-N-(2-methoxyethyl)carbamate
SMILESCOCCN(CC(N)=O)C(=O)OC(C)(C)C
InChIInChI=1S/C10H20N2O4/c1-10(2,3)16-9(14)12(5-6-15-4)7-8(11)13/h5-7H2,1-4H3,(H2,11,13)
InChIKeyRVDNSWCRIGGYBM-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.36
Rot. Bonds5

About tert-butyl N-(2-amino-2-oxoethyl)-N-(2-methoxyethyl)carbamate

tert-butyl N-(2-amino-2-oxoethyl)-N-(2-methoxyethyl)carbamate (PubChem CID 130748777) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is tert-butyl N-(2-amino-2-oxoethyl)-N-(2-methoxyethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-amino-2-oxoethyl)-N-(2-methoxyethyl)carbamate
PubChem CID130748777
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Nametert-butyl N-(2-amino-2-oxoethyl)-N-(2-methoxyethyl)carbamate
SMILESCOCCN(CC(N)=O)C(=O)OC(C)(C)C
InChIInChI=1S/C10H20N2O4/c1-10(2,3)16-9(14)12(5-6-15-4)7-8(11)13/h5-7H2,1-4H3,(H2,11,13)
InChIKeyRVDNSWCRIGGYBM-UHFFFAOYSA-N
XLogP0.36
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-amino-N-(2-amino-2-oxoethyl)carbamate
CID 46900001
2-[2-[(2-amino-2-oxoethyl)-[2-[[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]amino]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetic acid
CID 150394272
tert-butyl N-[2-[(3-hydroxy-3-methylbutan-2-yl)amino]ethyl]-N-(2-methoxyethyl)carbamate
CID 107256998
tert-butyl N-[2-[[(2R)-1-ethoxy-3-methylbutan-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)carbamate
CID 99793214
tert-butyl N-(2-methoxyethyl)-N-methylcarbamate;sulfur dioxide
CID 158416734
2-[(2-methylpropan-2-yl)oxycarbonyl-[2-(2-sulfanylacetyl)oxyethyl]amino]ethyl 2-sulfanylacetate
CID 91117825
tert-butyl N-[(3-bromo-4-hydroxyphenyl)methyl]-N-(2-methoxyethyl)carbamate
CID 166176544
tert-butyl N-(2-methoxyethyl)-N-[2-(2-methylpentan-3-ylamino)ethyl]carbamate
CID 103906265
tert-butyl N-carbamoyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 135140582
tert-butyl N-[2-[(3-aminothiophen-2-yl)methylamino]ethyl]-N-(2-methoxyethyl)carbamate
CID 107257008
tert-butyl N-(2-imidazol-1-ylethyl)-N-(2-methoxyethyl)carbamate
CID 156839844
2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 79269680

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-amino-2-oxoethyl)-N-(2-methoxyethyl)carbamate?
The IUPAC name of tert-butyl N-(2-amino-2-oxoethyl)-N-(2-methoxyethyl)carbamate (CID 130748777) is tert-butyl N-(2-amino-2-oxoethyl)-N-(2-methoxyethyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-amino-2-oxoethyl)-N-(2-methoxyethyl)carbamate?
The canonical SMILES for tert-butyl N-(2-amino-2-oxoethyl)-N-(2-methoxyethyl)carbamate is COCCN(CC(N)=O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-amino-2-oxoethyl)-N-(2-methoxyethyl)carbamate?
The InChIKey is RVDNSWCRIGGYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-10(2,3)16-9(14)12(5-6-15-4)7-8(11)13/h5-7H2,1-4H3,(H2,11,13).
What are the key properties of tert-butyl N-(2-amino-2-oxoethyl)-N-(2-methoxyethyl)carbamate?
tert-butyl N-(2-amino-2-oxoethyl)-N-(2-methoxyethyl)carbamate has a molecular weight of 232.28 g/mol, XLogP of 0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-amino-2-oxoethyl)-N-(2-methoxyethyl)carbamate is sourced from PubChem (CID 130748777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).