2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2,4-triazol-3-yl]acetic acid

C11H18N4O4 — CID 126666213

IUPAC2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2,4-triazol-3-yl]acetic acid
SMILESCC(C)(C)OC(=O)NCCn1cnnc1CC(=O)O
InChIInChI=1S/C11H18N4O4/c1-11(2,3)19-10(18)12-4-5-15-7-13-14-8(15)6-9(16)17/h7H,4-6H2,1-3H3,(H,12,18)(H,16,17)
InChIKeyLQOKZPLCQWJNSX-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.43
Rot. Bonds5

About 2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2,4-triazol-3-yl]acetic acid

2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2,4-triazol-3-yl]acetic acid (PubChem CID 126666213) has the molecular formula C11H18N4O4 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2,4-triazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2,4-triazol-3-yl]acetic acid
PubChem CID126666213
Molecular FormulaC11H18N4O4
Molecular Weight270.29 g/mol
Exact Mass270.13
IUPAC Name2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2,4-triazol-3-yl]acetic acid
SMILESCC(C)(C)OC(=O)NCCn1cnnc1CC(=O)O
InChIInChI=1S/C11H18N4O4/c1-11(2,3)19-10(18)12-4-5-15-7-13-14-8(15)6-9(16)17/h7H,4-6H2,1-3H3,(H,12,18)(H,16,17)
InChIKeyLQOKZPLCQWJNSX-UHFFFAOYSA-N
XLogP0.43
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2,4-triazol-3-yl]acetic acid?
The IUPAC name of 2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2,4-triazol-3-yl]acetic acid (CID 126666213) is 2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2,4-triazol-3-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2,4-triazol-3-yl]acetic acid?
The canonical SMILES for 2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2,4-triazol-3-yl]acetic acid is CC(C)(C)OC(=O)NCCn1cnnc1CC(=O)O.
What is the InChIKey of 2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2,4-triazol-3-yl]acetic acid?
The InChIKey is LQOKZPLCQWJNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4/c1-11(2,3)19-10(18)12-4-5-15-7-13-14-8(15)6-9(16)17/h7H,4-6H2,1-3H3,(H,12,18)(H,16,17).
What are the key properties of 2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2,4-triazol-3-yl]acetic acid?
2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2,4-triazol-3-yl]acetic acid has a molecular weight of 270.29 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2,4-triazol-3-yl]acetic acid is sourced from PubChem (CID 126666213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).