tert-butyl 2-[3-aminopropyl(2-methoxyethyl)amino]acetate

C12H26N2O3 — CID 113366624

IUPACtert-butyl 2-[3-aminopropyl(2-methoxyethyl)amino]acetate
SMILESCOCCN(CCCN)CC(=O)OC(C)(C)C
InChIInChI=1S/C12H26N2O3/c1-12(2,3)17-11(15)10-14(7-5-6-13)8-9-16-4/h5-10,13H2,1-4H3
InChIKeyKNWQSDQMAKKVKA-UHFFFAOYSA-N
MW246.35 g/mol
LogP0.63
Rot. Bonds8

About tert-butyl 2-[3-aminopropyl(2-methoxyethyl)amino]acetate

tert-butyl 2-[3-aminopropyl(2-methoxyethyl)amino]acetate (PubChem CID 113366624) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is tert-butyl 2-[3-aminopropyl(2-methoxyethyl)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[3-aminopropyl(2-methoxyethyl)amino]acetate
PubChem CID113366624
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Nametert-butyl 2-[3-aminopropyl(2-methoxyethyl)amino]acetate
SMILESCOCCN(CCCN)CC(=O)OC(C)(C)C
InChIInChI=1S/C12H26N2O3/c1-12(2,3)17-11(15)10-14(7-5-6-13)8-9-16-4/h5-10,13H2,1-4H3
InChIKeyKNWQSDQMAKKVKA-UHFFFAOYSA-N
XLogP0.63
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-[3-acetyloxypropyl(3-methoxypropyl)amino]acetate
CID 176618014
tert-butyl 2-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-propylamino]ethyl-propylamino]acetate;pentan-1-amine;propane
CID 145080962
tert-butyl 2-[propyl(undecyl)amino]acetate
CID 146733581
tert-butyl 2-[butyl(2-hydroxyethyl)amino]acetate
CID 60689457
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
2-[3-aminopropyl(2-methoxyethyl)amino]ethanol
CID 63287082
3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-nonylamino]propyl hexanoate
CID 129286483
pentyl 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-nonylamino]butanoate
CID 129286608
4-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoic acid
CID 71382387
N'-ethyl-N'-(2-methoxyethyl)propane-1,3-diamine
CID 43137192
3-[3-aminopropyl(2-methoxyethyl)amino]-N-methylpropanamide
CID 63287350
tert-butyl N-[3-[[2-[3-[3-aminopropyl-[3-[[2-[bis[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]acetyl]amino]propyl]amino]propylamino]-2-oxoethyl]-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]propyl]carbamate
CID 102435232

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[3-aminopropyl(2-methoxyethyl)amino]acetate?
The IUPAC name of tert-butyl 2-[3-aminopropyl(2-methoxyethyl)amino]acetate (CID 113366624) is tert-butyl 2-[3-aminopropyl(2-methoxyethyl)amino]acetate.
What is the SMILES notation for tert-butyl 2-[3-aminopropyl(2-methoxyethyl)amino]acetate?
The canonical SMILES for tert-butyl 2-[3-aminopropyl(2-methoxyethyl)amino]acetate is COCCN(CCCN)CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[3-aminopropyl(2-methoxyethyl)amino]acetate?
The InChIKey is KNWQSDQMAKKVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-12(2,3)17-11(15)10-14(7-5-6-13)8-9-16-4/h5-10,13H2,1-4H3.
What are the key properties of tert-butyl 2-[3-aminopropyl(2-methoxyethyl)amino]acetate?
tert-butyl 2-[3-aminopropyl(2-methoxyethyl)amino]acetate has a molecular weight of 246.35 g/mol, XLogP of 0.63, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[3-aminopropyl(2-methoxyethyl)amino]acetate is sourced from PubChem (CID 113366624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).