4-amino-3-(2-methyltetrazol-5-yl)butanoic acid

C6H11N5O2 — CID 84659995

IUPAC4-amino-3-(2-methyltetrazol-5-yl)butanoic acid
SMILESCn1nnc(C(CN)CC(=O)O)n1
InChIInChI=1S/C6H11N5O2/c1-11-9-6(8-10-11)4(3-7)2-5(12)13/h4H,2-3,7H2,1H3,(H,12,13)
InChIKeyLDPUFJXIJMFEQQ-UHFFFAOYSA-N
MW185.19 g/mol
LogP-1.27
Rot. Bonds4

About 4-amino-3-(2-methyltetrazol-5-yl)butanoic acid

4-amino-3-(2-methyltetrazol-5-yl)butanoic acid (PubChem CID 84659995) has the molecular formula C6H11N5O2 and a molecular weight of 185.19 g/mol. Its IUPAC name is 4-amino-3-(2-methyltetrazol-5-yl)butanoic acid.

Molecular Properties

Compound Name4-amino-3-(2-methyltetrazol-5-yl)butanoic acid
PubChem CID84659995
Molecular FormulaC6H11N5O2
Molecular Weight185.19 g/mol
Exact Mass185.09
IUPAC Name4-amino-3-(2-methyltetrazol-5-yl)butanoic acid
SMILESCn1nnc(C(CN)CC(=O)O)n1
InChIInChI=1S/C6H11N5O2/c1-11-9-6(8-10-11)4(3-7)2-5(12)13/h4H,2-3,7H2,1H3,(H,12,13)
InChIKeyLDPUFJXIJMFEQQ-UHFFFAOYSA-N
XLogP-1.27
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-methyltetrazol-5-yl)butanoic acid?
The IUPAC name of 4-amino-3-(2-methyltetrazol-5-yl)butanoic acid (CID 84659995) is 4-amino-3-(2-methyltetrazol-5-yl)butanoic acid.
What is the SMILES notation for 4-amino-3-(2-methyltetrazol-5-yl)butanoic acid?
The canonical SMILES for 4-amino-3-(2-methyltetrazol-5-yl)butanoic acid is Cn1nnc(C(CN)CC(=O)O)n1.
What is the InChIKey of 4-amino-3-(2-methyltetrazol-5-yl)butanoic acid?
The InChIKey is LDPUFJXIJMFEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O2/c1-11-9-6(8-10-11)4(3-7)2-5(12)13/h4H,2-3,7H2,1H3,(H,12,13).
What are the key properties of 4-amino-3-(2-methyltetrazol-5-yl)butanoic acid?
4-amino-3-(2-methyltetrazol-5-yl)butanoic acid has a molecular weight of 185.19 g/mol, XLogP of -1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2-methyltetrazol-5-yl)butanoic acid is sourced from PubChem (CID 84659995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).