tert-butyl 4-[(2-amino-2-oxoethyl)-butylamino]-4-oxobutanoate

C14H26N2O4 — CID 106707268

IUPACtert-butyl 4-[(2-amino-2-oxoethyl)-butylamino]-4-oxobutanoate
SMILESCCCCN(CC(N)=O)C(=O)CCC(=O)OC(C)(C)C
InChIInChI=1S/C14H26N2O4/c1-5-6-9-16(10-11(15)17)12(18)7-8-13(19)20-14(2,3)4/h5-10H2,1-4H3,(H2,15,17)
InChIKeyIZNWIQGYUASGIS-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.22
Rot. Bonds8

About tert-butyl 4-[(2-amino-2-oxoethyl)-butylamino]-4-oxobutanoate

tert-butyl 4-[(2-amino-2-oxoethyl)-butylamino]-4-oxobutanoate (PubChem CID 106707268) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is tert-butyl 4-[(2-amino-2-oxoethyl)-butylamino]-4-oxobutanoate.

Molecular Properties

Compound Nametert-butyl 4-[(2-amino-2-oxoethyl)-butylamino]-4-oxobutanoate
PubChem CID106707268
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Nametert-butyl 4-[(2-amino-2-oxoethyl)-butylamino]-4-oxobutanoate
SMILESCCCCN(CC(N)=O)C(=O)CCC(=O)OC(C)(C)C
InChIInChI=1S/C14H26N2O4/c1-5-6-9-16(10-11(15)17)12(18)7-8-13(19)20-14(2,3)4/h5-10H2,1-4H3,(H2,15,17)
InChIKeyIZNWIQGYUASGIS-UHFFFAOYSA-N
XLogP1.22
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[(2-amino-2-oxoethyl)-butylamino]propanoate
CID 113226677
3-amino-N-(2-amino-2-oxoethyl)-N-butylpropanamide;hydrochloride
CID 119294872
tert-butyl pentanoate;hydrazine
CID 174371267
4-[(2-amino-2-oxoethyl)-butylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 60948274
tert-butyl 4-[methyl(propyl)amino]-4-oxobutanoate
CID 106707015
N-(2-amino-2-oxoethyl)-N-propylbutanamide
CID 57237794
tert-butyl 4-[(2-amino-2-oxoethyl)-cyclopentylamino]-4-oxobutanoate
CID 106707244
N-(2-amino-2-oxoethyl)-N-(2-hydroxyethyl)octanamide
CID 177356910
ethyl 4-[butyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoate
CID 60778332
methyl N-[2-[(2-amino-2-oxoethyl)-butylamino]-2-oxoethyl]carbamate
CID 47307690
tert-butyl octacosanoate
CID 174872722
tert-butyl 7-amino-7-oxoheptanoate
CID 88902812

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2-amino-2-oxoethyl)-butylamino]-4-oxobutanoate?
The IUPAC name of tert-butyl 4-[(2-amino-2-oxoethyl)-butylamino]-4-oxobutanoate (CID 106707268) is tert-butyl 4-[(2-amino-2-oxoethyl)-butylamino]-4-oxobutanoate.
What is the SMILES notation for tert-butyl 4-[(2-amino-2-oxoethyl)-butylamino]-4-oxobutanoate?
The canonical SMILES for tert-butyl 4-[(2-amino-2-oxoethyl)-butylamino]-4-oxobutanoate is CCCCN(CC(N)=O)C(=O)CCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-[(2-amino-2-oxoethyl)-butylamino]-4-oxobutanoate?
The InChIKey is IZNWIQGYUASGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-5-6-9-16(10-11(15)17)12(18)7-8-13(19)20-14(2,3)4/h5-10H2,1-4H3,(H2,15,17).
What are the key properties of tert-butyl 4-[(2-amino-2-oxoethyl)-butylamino]-4-oxobutanoate?
tert-butyl 4-[(2-amino-2-oxoethyl)-butylamino]-4-oxobutanoate has a molecular weight of 286.37 g/mol, XLogP of 1.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2-amino-2-oxoethyl)-butylamino]-4-oxobutanoate is sourced from PubChem (CID 106707268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).