tert-butyl 3-[2-aminoethyl(methyl)amino]propanoate

C10H22N2O2 — CID 146049097

IUPACtert-butyl 3-[2-aminoethyl(methyl)amino]propanoate
SMILESCN(CCN)CCC(=O)OC(C)(C)C
InChIInChI=1S/C10H22N2O2/c1-10(2,3)14-9(13)5-7-12(4)8-6-11/h5-8,11H2,1-4H3
InChIKeyONBDLQYPEBXVGI-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.61
Rot. Bonds5

About tert-butyl 3-[2-aminoethyl(methyl)amino]propanoate

tert-butyl 3-[2-aminoethyl(methyl)amino]propanoate (PubChem CID 146049097) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is tert-butyl 3-[2-aminoethyl(methyl)amino]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[2-aminoethyl(methyl)amino]propanoate
PubChem CID146049097
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Nametert-butyl 3-[2-aminoethyl(methyl)amino]propanoate
SMILESCN(CCN)CCC(=O)OC(C)(C)C
InChIInChI=1S/C10H22N2O2/c1-10(2,3)14-9(13)5-7-12(4)8-6-11/h5-8,11H2,1-4H3
InChIKeyONBDLQYPEBXVGI-UHFFFAOYSA-N
XLogP0.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Tert-butyl 3-(methylamino)propanoate
CID 14760311
Di-tert-butyl 3,3'-Iminodipropionate
CID 10945622
Ethyl 3-{methyl[2-(methylamino)ethyl]amino}propanoate
CID 64083333
Tert-butyl 3-(tert-butylamino)propanoate
CID 13976268
tert-Butyl 3-[(propan-2-yl)amino]propanoate
CID 42656868
Tert-butyl 3-(butylamino)propanoate
CID 14112938
tert-Butyl 3-(neopentylamino)propanoate, AldrichCPR
CID 14891188
Methyl 3-[2-(2-aminoethylamino)ethylamino]propanoate
CID 15828534
tert-Butyl 3-[(2-methylpropyl)amino]propanoate
CID 18997524
t-Butyl 8-amino-4-azaoctanoate
CID 20071812
Propan-2-yl 3-(2-aminoethylamino)propanoate
CID 20551166
Propyl 3-(2-aminoethylamino)-2-methylpropanoate
CID 20551168

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-aminoethyl(methyl)amino]propanoate?
The IUPAC name of tert-butyl 3-[2-aminoethyl(methyl)amino]propanoate (CID 146049097) is tert-butyl 3-[2-aminoethyl(methyl)amino]propanoate.
What is the SMILES notation for tert-butyl 3-[2-aminoethyl(methyl)amino]propanoate?
The canonical SMILES for tert-butyl 3-[2-aminoethyl(methyl)amino]propanoate is CN(CCN)CCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-[2-aminoethyl(methyl)amino]propanoate?
The InChIKey is ONBDLQYPEBXVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-10(2,3)14-9(13)5-7-12(4)8-6-11/h5-8,11H2,1-4H3.
What are the key properties of tert-butyl 3-[2-aminoethyl(methyl)amino]propanoate?
tert-butyl 3-[2-aminoethyl(methyl)amino]propanoate has a molecular weight of 202.30 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-aminoethyl(methyl)amino]propanoate is sourced from PubChem (CID 146049097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).