2-(2H-tetrazol-5-ylmethylamino)butanoic acid

C6H11N5O2 — CID 115353295

IUPAC2-(2H-tetrazol-5-ylmethylamino)butanoic acid
SMILESCCC(NCc1nn[nH]n1)C(=O)O
InChIInChI=1S/C6H11N5O2/c1-2-4(6(12)13)7-3-5-8-10-11-9-5/h4,7H,2-3H2,1H3,(H,12,13)(H,8,9,10,11)
InChIKeyCVOHTEZEUCSGFM-UHFFFAOYSA-N
MW185.19 g/mol
LogP-0.85
Rot. Bonds5

About 2-(2H-tetrazol-5-ylmethylamino)butanoic acid

2-(2H-tetrazol-5-ylmethylamino)butanoic acid (PubChem CID 115353295) has the molecular formula C6H11N5O2 and a molecular weight of 185.19 g/mol. Its IUPAC name is 2-(2H-tetrazol-5-ylmethylamino)butanoic acid.

Molecular Properties

Compound Name2-(2H-tetrazol-5-ylmethylamino)butanoic acid
PubChem CID115353295
Molecular FormulaC6H11N5O2
Molecular Weight185.19 g/mol
Exact Mass185.09
IUPAC Name2-(2H-tetrazol-5-ylmethylamino)butanoic acid
SMILESCCC(NCc1nn[nH]n1)C(=O)O
InChIInChI=1S/C6H11N5O2/c1-2-4(6(12)13)7-3-5-8-10-11-9-5/h4,7H,2-3H2,1H3,(H,12,13)(H,8,9,10,11)
InChIKeyCVOHTEZEUCSGFM-UHFFFAOYSA-N
XLogP-0.85
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2H-tetrazol-5-ylmethylamino)butanoic acid?
The IUPAC name of 2-(2H-tetrazol-5-ylmethylamino)butanoic acid (CID 115353295) is 2-(2H-tetrazol-5-ylmethylamino)butanoic acid.
What is the SMILES notation for 2-(2H-tetrazol-5-ylmethylamino)butanoic acid?
The canonical SMILES for 2-(2H-tetrazol-5-ylmethylamino)butanoic acid is CCC(NCc1nn[nH]n1)C(=O)O.
What is the InChIKey of 2-(2H-tetrazol-5-ylmethylamino)butanoic acid?
The InChIKey is CVOHTEZEUCSGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O2/c1-2-4(6(12)13)7-3-5-8-10-11-9-5/h4,7H,2-3H2,1H3,(H,12,13)(H,8,9,10,11).
What are the key properties of 2-(2H-tetrazol-5-ylmethylamino)butanoic acid?
2-(2H-tetrazol-5-ylmethylamino)butanoic acid has a molecular weight of 185.19 g/mol, XLogP of -0.85, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-tetrazol-5-ylmethylamino)butanoic acid is sourced from PubChem (CID 115353295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).