2-methyl-2-[(1-propyltetrazol-5-yl)methylamino]pentanoic acid

C11H21N5O2 — CID 43619662

IUPAC2-methyl-2-[(1-propyltetrazol-5-yl)methylamino]pentanoic acid
SMILESCCCn1nnnc1CNC(C)(CCC)C(=O)O
InChIInChI=1S/C11H21N5O2/c1-4-6-11(3,10(17)18)12-8-9-13-14-15-16(9)7-5-2/h12H,4-8H2,1-3H3,(H,17,18)
InChIKeyWMZYJQHUJUJCJG-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.82
Rot. Bonds8

About 2-methyl-2-[(1-propyltetrazol-5-yl)methylamino]pentanoic acid

2-methyl-2-[(1-propyltetrazol-5-yl)methylamino]pentanoic acid (PubChem CID 43619662) has the molecular formula C11H21N5O2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-methyl-2-[(1-propyltetrazol-5-yl)methylamino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(1-propyltetrazol-5-yl)methylamino]pentanoic acid
PubChem CID43619662
Molecular FormulaC11H21N5O2
Molecular Weight255.32 g/mol
Exact Mass255.17
IUPAC Name2-methyl-2-[(1-propyltetrazol-5-yl)methylamino]pentanoic acid
SMILESCCCn1nnnc1CNC(C)(CCC)C(=O)O
InChIInChI=1S/C11H21N5O2/c1-4-6-11(3,10(17)18)12-8-9-13-14-15-16(9)7-5-2/h12H,4-8H2,1-3H3,(H,17,18)
InChIKeyWMZYJQHUJUJCJG-UHFFFAOYSA-N
XLogP0.82
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(1-propyltetrazol-5-yl)methylamino]pentanoic acid?
The IUPAC name of 2-methyl-2-[(1-propyltetrazol-5-yl)methylamino]pentanoic acid (CID 43619662) is 2-methyl-2-[(1-propyltetrazol-5-yl)methylamino]pentanoic acid.
What is the SMILES notation for 2-methyl-2-[(1-propyltetrazol-5-yl)methylamino]pentanoic acid?
The canonical SMILES for 2-methyl-2-[(1-propyltetrazol-5-yl)methylamino]pentanoic acid is CCCn1nnnc1CNC(C)(CCC)C(=O)O.
What is the InChIKey of 2-methyl-2-[(1-propyltetrazol-5-yl)methylamino]pentanoic acid?
The InChIKey is WMZYJQHUJUJCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2/c1-4-6-11(3,10(17)18)12-8-9-13-14-15-16(9)7-5-2/h12H,4-8H2,1-3H3,(H,17,18).
What are the key properties of 2-methyl-2-[(1-propyltetrazol-5-yl)methylamino]pentanoic acid?
2-methyl-2-[(1-propyltetrazol-5-yl)methylamino]pentanoic acid has a molecular weight of 255.32 g/mol, XLogP of 0.82, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(1-propyltetrazol-5-yl)methylamino]pentanoic acid is sourced from PubChem (CID 43619662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).