tert-butyl 3-[2-aminoethyl-(2-oxo-2-propan-2-yloxyethyl)amino]propanoate

C14H28N2O4 — CID 143969988

IUPACtert-butyl 3-[2-aminoethyl-(2-oxo-2-propan-2-yloxyethyl)amino]propanoate
SMILESCC(C)OC(=O)CN(CCN)CCC(=O)OC(C)(C)C
InChIInChI=1S/C14H28N2O4/c1-11(2)19-13(18)10-16(9-7-15)8-6-12(17)20-14(3,4)5/h11H,6-10,15H2,1-5H3
InChIKeyXUGGEYKKVWBFSO-UHFFFAOYSA-N
MW288.39 g/mol
LogP0.93
Rot. Bonds8

About tert-butyl 3-[2-aminoethyl-(2-oxo-2-propan-2-yloxyethyl)amino]propanoate

tert-butyl 3-[2-aminoethyl-(2-oxo-2-propan-2-yloxyethyl)amino]propanoate (PubChem CID 143969988) has the molecular formula C14H28N2O4 and a molecular weight of 288.39 g/mol. Its IUPAC name is tert-butyl 3-[2-aminoethyl-(2-oxo-2-propan-2-yloxyethyl)amino]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[2-aminoethyl-(2-oxo-2-propan-2-yloxyethyl)amino]propanoate
PubChem CID143969988
Molecular FormulaC14H28N2O4
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Nametert-butyl 3-[2-aminoethyl-(2-oxo-2-propan-2-yloxyethyl)amino]propanoate
SMILESCC(C)OC(=O)CN(CCN)CCC(=O)OC(C)(C)C
InChIInChI=1S/C14H28N2O4/c1-11(2)19-13(18)10-16(9-7-15)8-6-12(17)20-14(3,4)5/h11H,6-10,15H2,1-5H3
InChIKeyXUGGEYKKVWBFSO-UHFFFAOYSA-N
XLogP0.93
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 3-[bis(2-methylpropyl)amino]propanoate
CID 113226672
tert-butyl 3-[(2-amino-2-oxoethyl)-butylamino]propanoate
CID 113226677
propan-2-yl 2-[2-[bis[2-(2-aminoacetyl)oxyethyl]amino]acetyl]oxy-2-methylpropanoate
CID 170221775
tert-butyl 2-[2-aminopropyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate
CID 23510744
tert-butyl 3-[1-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 174810655
methyl 3-[ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate
CID 62028503
tert-butyl 2-[3-aminopropyl(2-methoxyethyl)amino]acetate
CID 113366624
propan-2-yl 2-[3-aminopropyl(methyl)amino]acetate
CID 115319244
tert-butyl 3-[bis(cyanomethyl)amino]propanoate
CID 116662798
tert-butyl 2-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-propylamino]ethyl-propylamino]acetate;pentan-1-amine;propane
CID 145080962
tert-butyl 3-[2-hydroxyethyl(propan-2-yl)amino]propanoate
CID 115685980
tert-butyl (4R)-4-aminopentanoate
CID 58781983

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-aminoethyl-(2-oxo-2-propan-2-yloxyethyl)amino]propanoate?
The IUPAC name of tert-butyl 3-[2-aminoethyl-(2-oxo-2-propan-2-yloxyethyl)amino]propanoate (CID 143969988) is tert-butyl 3-[2-aminoethyl-(2-oxo-2-propan-2-yloxyethyl)amino]propanoate.
What is the SMILES notation for tert-butyl 3-[2-aminoethyl-(2-oxo-2-propan-2-yloxyethyl)amino]propanoate?
The canonical SMILES for tert-butyl 3-[2-aminoethyl-(2-oxo-2-propan-2-yloxyethyl)amino]propanoate is CC(C)OC(=O)CN(CCN)CCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-[2-aminoethyl-(2-oxo-2-propan-2-yloxyethyl)amino]propanoate?
The InChIKey is XUGGEYKKVWBFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4/c1-11(2)19-13(18)10-16(9-7-15)8-6-12(17)20-14(3,4)5/h11H,6-10,15H2,1-5H3.
What are the key properties of tert-butyl 3-[2-aminoethyl-(2-oxo-2-propan-2-yloxyethyl)amino]propanoate?
tert-butyl 3-[2-aminoethyl-(2-oxo-2-propan-2-yloxyethyl)amino]propanoate has a molecular weight of 288.39 g/mol, XLogP of 0.93, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-aminoethyl-(2-oxo-2-propan-2-yloxyethyl)amino]propanoate is sourced from PubChem (CID 143969988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).