2-[methyl-[2-(tetrazol-1-yl)acetyl]amino]acetic acid

C6H9N5O3 — CID 24691287

IUPAC2-[methyl-[2-(tetrazol-1-yl)acetyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)Cn1cnnn1
InChIInChI=1S/C6H9N5O3/c1-10(3-6(13)14)5(12)2-11-4-7-8-9-11/h4H,2-3H2,1H3,(H,13,14)
InChIKeyWVGXLDUUBBCCPJ-UHFFFAOYSA-N
MW199.17 g/mol
LogP-1.78
Rot. Bonds4

About 2-[methyl-[2-(tetrazol-1-yl)acetyl]amino]acetic acid

2-[methyl-[2-(tetrazol-1-yl)acetyl]amino]acetic acid (PubChem CID 24691287) has the molecular formula C6H9N5O3 and a molecular weight of 199.17 g/mol. Its IUPAC name is 2-[methyl-[2-(tetrazol-1-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[2-(tetrazol-1-yl)acetyl]amino]acetic acid
PubChem CID24691287
Molecular FormulaC6H9N5O3
Molecular Weight199.17 g/mol
Exact Mass199.07
IUPAC Name2-[methyl-[2-(tetrazol-1-yl)acetyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)Cn1cnnn1
InChIInChI=1S/C6H9N5O3/c1-10(3-6(13)14)5(12)2-11-4-7-8-9-11/h4H,2-3H2,1H3,(H,13,14)
InChIKeyWVGXLDUUBBCCPJ-UHFFFAOYSA-N
XLogP-1.78
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 5-1.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(tetrazol-1-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[2-(tetrazol-1-yl)acetyl]amino]acetic acid (CID 24691287) is 2-[methyl-[2-(tetrazol-1-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[2-(tetrazol-1-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[2-(tetrazol-1-yl)acetyl]amino]acetic acid is CN(CC(=O)O)C(=O)Cn1cnnn1.
What is the InChIKey of 2-[methyl-[2-(tetrazol-1-yl)acetyl]amino]acetic acid?
The InChIKey is WVGXLDUUBBCCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O3/c1-10(3-6(13)14)5(12)2-11-4-7-8-9-11/h4H,2-3H2,1H3,(H,13,14).
What are the key properties of 2-[methyl-[2-(tetrazol-1-yl)acetyl]amino]acetic acid?
2-[methyl-[2-(tetrazol-1-yl)acetyl]amino]acetic acid has a molecular weight of 199.17 g/mol, XLogP of -1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(tetrazol-1-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 24691287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).