2-[(1-butyltetrazol-5-yl)methylamino]-2-ethylbutanoic acid

C12H23N5O2 — CID 79809474

IUPAC2-[(1-butyltetrazol-5-yl)methylamino]-2-ethylbutanoic acid
SMILESCCCCn1nnnc1CNC(CC)(CC)C(=O)O
InChIInChI=1S/C12H23N5O2/c1-4-7-8-17-10(14-15-16-17)9-13-12(5-2,6-3)11(18)19/h13H,4-9H2,1-3H3,(H,18,19)
InChIKeyPUEHBFUWWFSHHD-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.21
Rot. Bonds9

About 2-[(1-butyltetrazol-5-yl)methylamino]-2-ethylbutanoic acid

2-[(1-butyltetrazol-5-yl)methylamino]-2-ethylbutanoic acid (PubChem CID 79809474) has the molecular formula C12H23N5O2 and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-[(1-butyltetrazol-5-yl)methylamino]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[(1-butyltetrazol-5-yl)methylamino]-2-ethylbutanoic acid
PubChem CID79809474
Molecular FormulaC12H23N5O2
Molecular Weight269.35 g/mol
Exact Mass269.19
IUPAC Name2-[(1-butyltetrazol-5-yl)methylamino]-2-ethylbutanoic acid
SMILESCCCCn1nnnc1CNC(CC)(CC)C(=O)O
InChIInChI=1S/C12H23N5O2/c1-4-7-8-17-10(14-15-16-17)9-13-12(5-2,6-3)11(18)19/h13H,4-9H2,1-3H3,(H,18,19)
InChIKeyPUEHBFUWWFSHHD-UHFFFAOYSA-N
XLogP1.21
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(1-butyltetrazol-5-yl)methylamino]-2-ethylbutanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1-butyltetrazol-5-yl)methylamino]-2-ethylbutanoic acid?
The IUPAC name of 2-[(1-butyltetrazol-5-yl)methylamino]-2-ethylbutanoic acid (CID 79809474) is 2-[(1-butyltetrazol-5-yl)methylamino]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[(1-butyltetrazol-5-yl)methylamino]-2-ethylbutanoic acid?
The canonical SMILES for 2-[(1-butyltetrazol-5-yl)methylamino]-2-ethylbutanoic acid is CCCCn1nnnc1CNC(CC)(CC)C(=O)O.
What is the InChIKey of 2-[(1-butyltetrazol-5-yl)methylamino]-2-ethylbutanoic acid?
The InChIKey is PUEHBFUWWFSHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2/c1-4-7-8-17-10(14-15-16-17)9-13-12(5-2,6-3)11(18)19/h13H,4-9H2,1-3H3,(H,18,19).
What are the key properties of 2-[(1-butyltetrazol-5-yl)methylamino]-2-ethylbutanoic acid?
2-[(1-butyltetrazol-5-yl)methylamino]-2-ethylbutanoic acid has a molecular weight of 269.35 g/mol, XLogP of 1.21, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-butyltetrazol-5-yl)methylamino]-2-ethylbutanoic acid is sourced from PubChem (CID 79809474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).