(2S)-2-[(1-methyltriazol-4-yl)methoxy]propanoic acid

C7H11N3O3 — CID 107040987

IUPAC(2S)-2-[(1-methyltriazol-4-yl)methoxy]propanoic acid
SMILESC[C@H](OCc1cn(C)nn1)C(=O)O
InChIInChI=1S/C7H11N3O3/c1-5(7(11)12)13-4-6-3-10(2)9-8-6/h3,5H,4H2,1-2H3,(H,11,12)/t5-/m0/s1
InChIKeyYQALGCAHPOVTGY-YFKPBYRVSA-N
MW185.18 g/mol
LogP-0.20
Rot. Bonds4

About (2S)-2-[(1-methyltriazol-4-yl)methoxy]propanoic acid

(2S)-2-[(1-methyltriazol-4-yl)methoxy]propanoic acid (PubChem CID 107040987) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is (2S)-2-[(1-methyltriazol-4-yl)methoxy]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(1-methyltriazol-4-yl)methoxy]propanoic acid
PubChem CID107040987
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Name(2S)-2-[(1-methyltriazol-4-yl)methoxy]propanoic acid
SMILESC[C@H](OCc1cn(C)nn1)C(=O)O
InChIInChI=1S/C7H11N3O3/c1-5(7(11)12)13-4-6-3-10(2)9-8-6/h3,5H,4H2,1-2H3,(H,11,12)/t5-/m0/s1
InChIKeyYQALGCAHPOVTGY-YFKPBYRVSA-N
XLogP-0.20
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-methoxyethoxymethyl)-1-methyltriazole
CID 174763188
2-methyl-4-(1-methyltriazol-4-yl)butanoic acid
CID 107058965
(2R)-2-hydroxy-3-(1-methyltriazol-4-yl)propanoic acid
CID 124681337
(1-methyltriazol-4-yl)methyl acetate
CID 89224817
3-ethoxy-1-(1-methyltriazol-4-yl)butan-2-one
CID 107047079
2-(1-methyltriazol-4-yl)acetic acid
CID 58281215
3-methoxy-4-methyl-1-(1-methyltriazol-4-yl)pentan-2-one
CID 107047490
2-[2-[2-[2-[2-[(1-methyltriazol-4-yl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 176816953
1-methyl-4-(propan-2-yloxymethyl)triazole;1-methyl-5-(propan-2-yloxymethyl)triazole
CID 158771451
3-(1-methyltriazol-4-yl)propanoic acid
CID 21284782
S-methyl 2-[(1-methyltriazol-4-yl)methoxy]ethanethioate
CID 156527890
5-bromo-2-[(1-methyltriazol-4-yl)methoxy]benzoic acid
CID 113437332

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1-methyltriazol-4-yl)methoxy]propanoic acid?
The IUPAC name of (2S)-2-[(1-methyltriazol-4-yl)methoxy]propanoic acid (CID 107040987) is (2S)-2-[(1-methyltriazol-4-yl)methoxy]propanoic acid.
What is the SMILES notation for (2S)-2-[(1-methyltriazol-4-yl)methoxy]propanoic acid?
The canonical SMILES for (2S)-2-[(1-methyltriazol-4-yl)methoxy]propanoic acid is C[C@H](OCc1cn(C)nn1)C(=O)O.
What is the InChIKey of (2S)-2-[(1-methyltriazol-4-yl)methoxy]propanoic acid?
The InChIKey is YQALGCAHPOVTGY-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H11N3O3/c1-5(7(11)12)13-4-6-3-10(2)9-8-6/h3,5H,4H2,1-2H3,(H,11,12)/t5-/m0/s1.
What are the key properties of (2S)-2-[(1-methyltriazol-4-yl)methoxy]propanoic acid?
(2S)-2-[(1-methyltriazol-4-yl)methoxy]propanoic acid has a molecular weight of 185.18 g/mol, XLogP of -0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1-methyltriazol-4-yl)methoxy]propanoic acid is sourced from PubChem (CID 107040987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).