2-amino-2-(1-ethyltetrazol-5-yl)acetic acid

C5H9N5O2 — CID 115013824

IUPAC2-amino-2-(1-ethyltetrazol-5-yl)acetic acid
SMILESCCn1nnnc1C(N)C(=O)O
InChIInChI=1S/C5H9N5O2/c1-2-10-4(7-8-9-10)3(6)5(11)12/h3H,2,6H2,1H3,(H,11,12)
InChIKeyVQHQALDUNUXELN-UHFFFAOYSA-N
MW171.16 g/mol
LogP-1.22
Rot. Bonds3

About 2-amino-2-(1-ethyltetrazol-5-yl)acetic acid

2-amino-2-(1-ethyltetrazol-5-yl)acetic acid (PubChem CID 115013824) has the molecular formula C5H9N5O2 and a molecular weight of 171.16 g/mol. Its IUPAC name is 2-amino-2-(1-ethyltetrazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(1-ethyltetrazol-5-yl)acetic acid
PubChem CID115013824
Molecular FormulaC5H9N5O2
Molecular Weight171.16 g/mol
Exact Mass171.08
IUPAC Name2-amino-2-(1-ethyltetrazol-5-yl)acetic acid
SMILESCCn1nnnc1C(N)C(=O)O
InChIInChI=1S/C5H9N5O2/c1-2-10-4(7-8-9-10)3(6)5(11)12/h3H,2,6H2,1H3,(H,11,12)
InChIKeyVQHQALDUNUXELN-UHFFFAOYSA-N
XLogP-1.22
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(1-ethyltetrazol-5-yl)acetic acid?
The IUPAC name of 2-amino-2-(1-ethyltetrazol-5-yl)acetic acid (CID 115013824) is 2-amino-2-(1-ethyltetrazol-5-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(1-ethyltetrazol-5-yl)acetic acid?
The canonical SMILES for 2-amino-2-(1-ethyltetrazol-5-yl)acetic acid is CCn1nnnc1C(N)C(=O)O.
What is the InChIKey of 2-amino-2-(1-ethyltetrazol-5-yl)acetic acid?
The InChIKey is VQHQALDUNUXELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5O2/c1-2-10-4(7-8-9-10)3(6)5(11)12/h3H,2,6H2,1H3,(H,11,12).
What are the key properties of 2-amino-2-(1-ethyltetrazol-5-yl)acetic acid?
2-amino-2-(1-ethyltetrazol-5-yl)acetic acid has a molecular weight of 171.16 g/mol, XLogP of -1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(1-ethyltetrazol-5-yl)acetic acid is sourced from PubChem (CID 115013824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).