5-amino-2-[(2-methyltetrazol-5-yl)methyl]pentanoic acid

C8H15N5O2 — CID 107061709

IUPAC5-amino-2-[(2-methyltetrazol-5-yl)methyl]pentanoic acid
SMILESCn1nnc(CC(CCCN)C(=O)O)n1
InChIInChI=1S/C8H15N5O2/c1-13-11-7(10-12-13)5-6(8(14)15)3-2-4-9/h6H,2-5,9H2,1H3,(H,14,15)
InChIKeyQBDKOTMONWZVRA-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.81
Rot. Bonds6

About 5-amino-2-[(2-methyltetrazol-5-yl)methyl]pentanoic acid

5-amino-2-[(2-methyltetrazol-5-yl)methyl]pentanoic acid (PubChem CID 107061709) has the molecular formula C8H15N5O2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 5-amino-2-[(2-methyltetrazol-5-yl)methyl]pentanoic acid.

Molecular Properties

Compound Name5-amino-2-[(2-methyltetrazol-5-yl)methyl]pentanoic acid
PubChem CID107061709
Molecular FormulaC8H15N5O2
Molecular Weight213.24 g/mol
Exact Mass213.12
IUPAC Name5-amino-2-[(2-methyltetrazol-5-yl)methyl]pentanoic acid
SMILESCn1nnc(CC(CCCN)C(=O)O)n1
InChIInChI=1S/C8H15N5O2/c1-13-11-7(10-12-13)5-6(8(14)15)3-2-4-9/h6H,2-5,9H2,1H3,(H,14,15)
InChIKeyQBDKOTMONWZVRA-UHFFFAOYSA-N
XLogP-0.81
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-amino-2-[(2-methyltetrazol-5-yl)methyl]pentanoic 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 5-amino-2-[(2-methyltetrazol-5-yl)methyl]pentanoic acid?
The IUPAC name of 5-amino-2-[(2-methyltetrazol-5-yl)methyl]pentanoic acid (CID 107061709) is 5-amino-2-[(2-methyltetrazol-5-yl)methyl]pentanoic acid.
What is the SMILES notation for 5-amino-2-[(2-methyltetrazol-5-yl)methyl]pentanoic acid?
The canonical SMILES for 5-amino-2-[(2-methyltetrazol-5-yl)methyl]pentanoic acid is Cn1nnc(CC(CCCN)C(=O)O)n1.
What is the InChIKey of 5-amino-2-[(2-methyltetrazol-5-yl)methyl]pentanoic acid?
The InChIKey is QBDKOTMONWZVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O2/c1-13-11-7(10-12-13)5-6(8(14)15)3-2-4-9/h6H,2-5,9H2,1H3,(H,14,15).
What are the key properties of 5-amino-2-[(2-methyltetrazol-5-yl)methyl]pentanoic acid?
5-amino-2-[(2-methyltetrazol-5-yl)methyl]pentanoic acid has a molecular weight of 213.24 g/mol, XLogP of -0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(2-methyltetrazol-5-yl)methyl]pentanoic acid is sourced from PubChem (CID 107061709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).