2-[tert-butyl-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]amino]acetic acid

C13H24N4O2 — CID 79268331

IUPAC2-[tert-butyl-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]amino]acetic acid
SMILESCC(C)Cn1ncnc1CN(CC(=O)O)C(C)(C)C
InChIInChI=1S/C13H24N4O2/c1-10(2)6-17-11(14-9-15-17)7-16(8-12(18)19)13(3,4)5/h9-10H,6-8H2,1-5H3,(H,18,19)
InChIKeyDRPZXHZPECXEHL-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.62
Rot. Bonds6

About 2-[tert-butyl-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]amino]acetic acid

2-[tert-butyl-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]amino]acetic acid (PubChem CID 79268331) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[tert-butyl-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]amino]acetic acid
PubChem CID79268331
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name2-[tert-butyl-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]amino]acetic acid
SMILESCC(C)Cn1ncnc1CN(CC(=O)O)C(C)(C)C
InChIInChI=1S/C13H24N4O2/c1-10(2)6-17-11(14-9-15-17)7-16(8-12(18)19)13(3,4)5/h9-10H,6-8H2,1-5H3,(H,18,19)
InChIKeyDRPZXHZPECXEHL-UHFFFAOYSA-N
XLogP1.62
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]amino]acetic acid?
The IUPAC name of 2-[tert-butyl-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]amino]acetic acid (CID 79268331) is 2-[tert-butyl-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]amino]acetic acid is CC(C)Cn1ncnc1CN(CC(=O)O)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]amino]acetic acid?
The InChIKey is DRPZXHZPECXEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-10(2)6-17-11(14-9-15-17)7-16(8-12(18)19)13(3,4)5/h9-10H,6-8H2,1-5H3,(H,18,19).
What are the key properties of 2-[tert-butyl-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]amino]acetic acid?
2-[tert-butyl-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]amino]acetic acid has a molecular weight of 268.36 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]amino]acetic acid is sourced from PubChem (CID 79268331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).