2-[4-(methoxymethyl)triazol-1-yl]acetic acid

C6H9N3O3 — CID 118274523

IUPAC2-[4-(methoxymethyl)triazol-1-yl]acetic acid
SMILESCOCc1cn(CC(=O)O)nn1
InChIInChI=1S/C6H9N3O3/c1-12-4-5-2-9(8-7-5)3-6(10)11/h2H,3-4H2,1H3,(H,10,11)
InChIKeyUYOOMSRFJDDZGP-UHFFFAOYSA-N
MW171.16 g/mol
LogP-0.49
Rot. Bonds4

About 2-[4-(methoxymethyl)triazol-1-yl]acetic acid

2-[4-(methoxymethyl)triazol-1-yl]acetic acid (PubChem CID 118274523) has the molecular formula C6H9N3O3 and a molecular weight of 171.16 g/mol. Its IUPAC name is 2-[4-(methoxymethyl)triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(methoxymethyl)triazol-1-yl]acetic acid
PubChem CID118274523
Molecular FormulaC6H9N3O3
Molecular Weight171.16 g/mol
Exact Mass171.06
IUPAC Name2-[4-(methoxymethyl)triazol-1-yl]acetic acid
SMILESCOCc1cn(CC(=O)O)nn1
InChIInChI=1S/C6H9N3O3/c1-12-4-5-2-9(8-7-5)3-6(10)11/h2H,3-4H2,1H3,(H,10,11)
InChIKeyUYOOMSRFJDDZGP-UHFFFAOYSA-N
XLogP-0.49
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]acetate
CID 71590932
2-(4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl)acetic acid
CID 23139261
methyl 1-(2-hydroxyethyl)-1H-1,2,3-triazole-4-carboxylate
CID 23268967
2-(4-(methoxycarbonyl)-1H-1,2,3-triazol-1-yl)acetic acid
CID 11367424
tert-butyl 2-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]acetate
CID 71756059
4-Methyl-1H-1,2,3-triazole-1-acetic acid
CID 18524443
1-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxylic acid
CID 33788212
Ethyl[4-methyl-1H-1,2,3-triazole-1-yl]acetate
CID 59603650
(1-Butyl-3-methyltriazol-1-ium-4-yl)methanol acetate
CID 137635033
(1-Butyl-3-propyltriazol-1-ium-4-yl)methanol acetate
CID 137643295
methyl 1-(2-ethoxy-2-oxoethyl)-1H-1,2,3-triazole-4-carboxylate
CID 12160910
methyl 2-[4-(1-hydroxyethyl)-1H-1,2,3-triazol-1-yl]acetate
CID 71756634

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methoxymethyl)triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(methoxymethyl)triazol-1-yl]acetic acid (CID 118274523) is 2-[4-(methoxymethyl)triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(methoxymethyl)triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(methoxymethyl)triazol-1-yl]acetic acid is COCc1cn(CC(=O)O)nn1.
What is the InChIKey of 2-[4-(methoxymethyl)triazol-1-yl]acetic acid?
The InChIKey is UYOOMSRFJDDZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O3/c1-12-4-5-2-9(8-7-5)3-6(10)11/h2H,3-4H2,1H3,(H,10,11).
What are the key properties of 2-[4-(methoxymethyl)triazol-1-yl]acetic acid?
2-[4-(methoxymethyl)triazol-1-yl]acetic acid has a molecular weight of 171.16 g/mol, XLogP of -0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methoxymethyl)triazol-1-yl]acetic acid is sourced from PubChem (CID 118274523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).