tert-butyl 2-[(1-tert-butyltriazol-4-yl)methylamino]acetate

C13H24N4O2 — CID 103399286

IUPACtert-butyl 2-[(1-tert-butyltriazol-4-yl)methylamino]acetate
SMILESCC(C)(C)OC(=O)CNCc1cn(C(C)(C)C)nn1
InChIInChI=1S/C13H24N4O2/c1-12(2,3)17-9-10(15-16-17)7-14-8-11(18)19-13(4,5)6/h9,14H,7-8H2,1-6H3
InChIKeyGIMPFYPEGBCIPQ-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.46
Rot. Bonds4

About tert-butyl 2-[(1-tert-butyltriazol-4-yl)methylamino]acetate

tert-butyl 2-[(1-tert-butyltriazol-4-yl)methylamino]acetate (PubChem CID 103399286) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is tert-butyl 2-[(1-tert-butyltriazol-4-yl)methylamino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(1-tert-butyltriazol-4-yl)methylamino]acetate
PubChem CID103399286
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Nametert-butyl 2-[(1-tert-butyltriazol-4-yl)methylamino]acetate
SMILESCC(C)(C)OC(=O)CNCc1cn(C(C)(C)C)nn1
InChIInChI=1S/C13H24N4O2/c1-12(2,3)17-9-10(15-16-17)7-14-8-11(18)19-13(4,5)6/h9,14H,7-8H2,1-6H3
InChIKeyGIMPFYPEGBCIPQ-UHFFFAOYSA-N
XLogP1.46
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 2-[(1-tert-butyltriazol-4-yl)methylamino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-((((tert-butoxy)carbonyl)amino)methyl)-1H-1,2,3-triazol-1-yl)acetic acid
CID 115299802
methyl 2-(4-(aminomethyl)-1H-1,2,3-triazol-1-yl)acetate dihydrochloride
CID 138991554
methyl 2-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]-2-methylpropanoate dihydrochloride
CID 165945973
2-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]acetic acid
CID 71756267
Methyl 2-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]acetate
CID 71756903
[1-(2-Ethoxy-2-oxoethyl)triazol-4-yl]methylazanium;2,2,2-trifluoroacetate
CID 89801912
Ethyl 2-[4-[(4,4,4-trifluorobutylamino)methyl]triazol-1-yl]acetate
CID 126666292
t-Butyl {[1-(2-amino-2-oxoethyl)-1h-1,2,3-triazol-4-yl]methyl}carbamate
CID 75537386
Methyl 2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]triazol-1-yl]acetate
CID 122221616
methyl (2R)-2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]triazol-1-yl]propanoate
CID 162406951
methyl (2S)-2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]triazol-1-yl]propanoate
CID 162408205
tert-butyl (2S)-2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]triazol-1-yl]propanoate
CID 162409448

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(1-tert-butyltriazol-4-yl)methylamino]acetate?
The IUPAC name of tert-butyl 2-[(1-tert-butyltriazol-4-yl)methylamino]acetate (CID 103399286) is tert-butyl 2-[(1-tert-butyltriazol-4-yl)methylamino]acetate.
What is the SMILES notation for tert-butyl 2-[(1-tert-butyltriazol-4-yl)methylamino]acetate?
The canonical SMILES for tert-butyl 2-[(1-tert-butyltriazol-4-yl)methylamino]acetate is CC(C)(C)OC(=O)CNCc1cn(C(C)(C)C)nn1.
What is the InChIKey of tert-butyl 2-[(1-tert-butyltriazol-4-yl)methylamino]acetate?
The InChIKey is GIMPFYPEGBCIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-12(2,3)17-9-10(15-16-17)7-14-8-11(18)19-13(4,5)6/h9,14H,7-8H2,1-6H3.
What are the key properties of tert-butyl 2-[(1-tert-butyltriazol-4-yl)methylamino]acetate?
tert-butyl 2-[(1-tert-butyltriazol-4-yl)methylamino]acetate has a molecular weight of 268.36 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(1-tert-butyltriazol-4-yl)methylamino]acetate is sourced from PubChem (CID 103399286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).