2-[methyl-[2-(2H-tetrazol-5-yl)acetyl]amino]acetic acid

C6H9N5O3 — CID 110498043

IUPAC2-[methyl-[2-(2H-tetrazol-5-yl)acetyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)Cc1nn[nH]n1
InChIInChI=1S/C6H9N5O3/c1-11(3-6(13)14)5(12)2-4-7-9-10-8-4/h2-3H2,1H3,(H,13,14)(H,7,8,9,10)
InChIKeyMGZUEIXYLWBXTR-UHFFFAOYSA-N
MW199.17 g/mol
LogP-1.71
Rot. Bonds4

About 2-[methyl-[2-(2H-tetrazol-5-yl)acetyl]amino]acetic acid

2-[methyl-[2-(2H-tetrazol-5-yl)acetyl]amino]acetic acid (PubChem CID 110498043) has the molecular formula C6H9N5O3 and a molecular weight of 199.17 g/mol. Its IUPAC name is 2-[methyl-[2-(2H-tetrazol-5-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[2-(2H-tetrazol-5-yl)acetyl]amino]acetic acid
PubChem CID110498043
Molecular FormulaC6H9N5O3
Molecular Weight199.17 g/mol
Exact Mass199.07
IUPAC Name2-[methyl-[2-(2H-tetrazol-5-yl)acetyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)Cc1nn[nH]n1
InChIInChI=1S/C6H9N5O3/c1-11(3-6(13)14)5(12)2-4-7-9-10-8-4/h2-3H2,1H3,(H,13,14)(H,7,8,9,10)
InChIKeyMGZUEIXYLWBXTR-UHFFFAOYSA-N
XLogP-1.71
TPSA112.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 5-1.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(2H-tetrazol-5-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[2-(2H-tetrazol-5-yl)acetyl]amino]acetic acid (CID 110498043) is 2-[methyl-[2-(2H-tetrazol-5-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[2-(2H-tetrazol-5-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[2-(2H-tetrazol-5-yl)acetyl]amino]acetic acid is CN(CC(=O)O)C(=O)Cc1nn[nH]n1.
What is the InChIKey of 2-[methyl-[2-(2H-tetrazol-5-yl)acetyl]amino]acetic acid?
The InChIKey is MGZUEIXYLWBXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O3/c1-11(3-6(13)14)5(12)2-4-7-9-10-8-4/h2-3H2,1H3,(H,13,14)(H,7,8,9,10).
What are the key properties of 2-[methyl-[2-(2H-tetrazol-5-yl)acetyl]amino]acetic acid?
2-[methyl-[2-(2H-tetrazol-5-yl)acetyl]amino]acetic acid has a molecular weight of 199.17 g/mol, XLogP of -1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(2H-tetrazol-5-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 110498043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).