tert-butyl 2-[bis(2-amino-2-oxoethyl)amino]propanoate

C11H21N3O4 — CID 66338147

IUPACtert-butyl 2-[bis(2-amino-2-oxoethyl)amino]propanoate
SMILESCC(C(=O)OC(C)(C)C)N(CC(N)=O)CC(N)=O
InChIInChI=1S/C11H21N3O4/c1-7(10(17)18-11(2,3)4)14(5-8(12)15)6-9(13)16/h7H,5-6H2,1-4H3,(H2,12,15)(H2,13,16)
InChIKeyINKIZWHDVMFBBK-UHFFFAOYSA-N
MW259.31 g/mol
LogP-1.01
Rot. Bonds6

About tert-butyl 2-[bis(2-amino-2-oxoethyl)amino]propanoate

tert-butyl 2-[bis(2-amino-2-oxoethyl)amino]propanoate (PubChem CID 66338147) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is tert-butyl 2-[bis(2-amino-2-oxoethyl)amino]propanoate.

Molecular Properties

Compound Nametert-butyl 2-[bis(2-amino-2-oxoethyl)amino]propanoate
PubChem CID66338147
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Nametert-butyl 2-[bis(2-amino-2-oxoethyl)amino]propanoate
SMILESCC(C(=O)OC(C)(C)C)N(CC(N)=O)CC(N)=O
InChIInChI=1S/C11H21N3O4/c1-7(10(17)18-11(2,3)4)14(5-8(12)15)6-9(13)16/h7H,5-6H2,1-4H3,(H2,12,15)(H2,13,16)
InChIKeyINKIZWHDVMFBBK-UHFFFAOYSA-N
XLogP-1.01
TPSA115.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-[bis(3-methylbutyl)amino]propanoate
CID 107870355
tert-butyl 2-[(2-amino-2-oxoethyl)-cyclopentylamino]propanoate
CID 64689159
tert-butyl 2-[ethyl(2,2,2-trifluoroethyl)amino]propanoate
CID 64686559
2-[(2-amino-2-oxoethyl)-(1-amino-1-sulfanylidenepropan-2-yl)amino]acetamide
CID 62922956
tert-butyl 2,2-bis(dimethylamino)acetate
CID 20512349
(2R)-2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoic acid
CID 10495701
tert-butyl 2-[ethyl(propan-2-yl)amino]propanoate
CID 64689549
tert-butyl N-amino-N-(2-amino-2-oxoethyl)carbamate
CID 46900001
tert-butyl (2S)-2-[iodo-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 171904778
tert-butyl (2S)-2-[formyl(hydroxy)amino]propanoate
CID 88706871
tert-butyl 2-[butan-2-yl(2-methoxyethyl)amino]propanoate
CID 64688775
tert-butyl 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoate
CID 66337048

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[bis(2-amino-2-oxoethyl)amino]propanoate?
The IUPAC name of tert-butyl 2-[bis(2-amino-2-oxoethyl)amino]propanoate (CID 66338147) is tert-butyl 2-[bis(2-amino-2-oxoethyl)amino]propanoate.
What is the SMILES notation for tert-butyl 2-[bis(2-amino-2-oxoethyl)amino]propanoate?
The canonical SMILES for tert-butyl 2-[bis(2-amino-2-oxoethyl)amino]propanoate is CC(C(=O)OC(C)(C)C)N(CC(N)=O)CC(N)=O.
What is the InChIKey of tert-butyl 2-[bis(2-amino-2-oxoethyl)amino]propanoate?
The InChIKey is INKIZWHDVMFBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-7(10(17)18-11(2,3)4)14(5-8(12)15)6-9(13)16/h7H,5-6H2,1-4H3,(H2,12,15)(H2,13,16).
What are the key properties of tert-butyl 2-[bis(2-amino-2-oxoethyl)amino]propanoate?
tert-butyl 2-[bis(2-amino-2-oxoethyl)amino]propanoate has a molecular weight of 259.31 g/mol, XLogP of -1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[bis(2-amino-2-oxoethyl)amino]propanoate is sourced from PubChem (CID 66338147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).