2,2,3-trimethyl-3-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]butanoic acid

C11H20N6O3 — CID 65263810

IUPAC2,2,3-trimethyl-3-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]butanoic acid
SMILESCC(NC(=O)NC(C)(C)C(C)(C)C(=O)O)c1nn[nH]n1
InChIInChI=1S/C11H20N6O3/c1-6(7-14-16-17-15-7)12-9(20)13-11(4,5)10(2,3)8(18)19/h6H,1-5H3,(H,18,19)(H2,12,13,20)(H,14,15,16,17)
InChIKeyZJUZTILMBOHBAO-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.45
Rot. Bonds5

About 2,2,3-trimethyl-3-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]butanoic acid

2,2,3-trimethyl-3-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]butanoic acid (PubChem CID 65263810) has the molecular formula C11H20N6O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]butanoic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-3-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]butanoic acid
PubChem CID65263810
Molecular FormulaC11H20N6O3
Molecular Weight284.32 g/mol
Exact Mass284.16
IUPAC Name2,2,3-trimethyl-3-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]butanoic acid
SMILESCC(NC(=O)NC(C)(C)C(C)(C)C(=O)O)c1nn[nH]n1
InChIInChI=1S/C11H20N6O3/c1-6(7-14-16-17-15-7)12-9(20)13-11(4,5)10(2,3)8(18)19/h6H,1-5H3,(H,18,19)(H2,12,13,20)(H,14,15,16,17)
InChIKeyZJUZTILMBOHBAO-UHFFFAOYSA-N
XLogP0.45
TPSA132.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]butanoic acid?
The IUPAC name of 2,2,3-trimethyl-3-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]butanoic acid (CID 65263810) is 2,2,3-trimethyl-3-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]butanoic acid.
What is the SMILES notation for 2,2,3-trimethyl-3-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]butanoic acid?
The canonical SMILES for 2,2,3-trimethyl-3-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]butanoic acid is CC(NC(=O)NC(C)(C)C(C)(C)C(=O)O)c1nn[nH]n1.
What is the InChIKey of 2,2,3-trimethyl-3-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]butanoic acid?
The InChIKey is ZJUZTILMBOHBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O3/c1-6(7-14-16-17-15-7)12-9(20)13-11(4,5)10(2,3)8(18)19/h6H,1-5H3,(H,18,19)(H2,12,13,20)(H,14,15,16,17).
What are the key properties of 2,2,3-trimethyl-3-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]butanoic acid?
2,2,3-trimethyl-3-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]butanoic acid has a molecular weight of 284.32 g/mol, XLogP of 0.45, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]butanoic acid is sourced from PubChem (CID 65263810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).