methyl 2-[4-[(1S)-1-hydroxyethyl]triazol-1-yl]acetate

C7H11N3O3 — CID 95721059

IUPACmethyl 2-[4-[(1S)-1-hydroxyethyl]triazol-1-yl]acetate
SMILESCOC(=O)Cn1cc([C@H](C)O)nn1
InChIInChI=1S/C7H11N3O3/c1-5(11)6-3-10(9-8-6)4-7(12)13-2/h3,5,11H,4H2,1-2H3/t5-/m0/s1
InChIKeyMXGRRFUCRGENRR-YFKPBYRVSA-N
MW185.18 g/mol
LogP-0.50
Rot. Bonds3

About methyl 2-[4-[(1S)-1-hydroxyethyl]triazol-1-yl]acetate

methyl 2-[4-[(1S)-1-hydroxyethyl]triazol-1-yl]acetate (PubChem CID 95721059) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is methyl 2-[4-[(1S)-1-hydroxyethyl]triazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(1S)-1-hydroxyethyl]triazol-1-yl]acetate
PubChem CID95721059
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Namemethyl 2-[4-[(1S)-1-hydroxyethyl]triazol-1-yl]acetate
SMILESCOC(=O)Cn1cc([C@H](C)O)nn1
InChIInChI=1S/C7H11N3O3/c1-5(11)6-3-10(9-8-6)4-7(12)13-2/h3,5,11H,4H2,1-2H3/t5-/m0/s1
InChIKeyMXGRRFUCRGENRR-YFKPBYRVSA-N
XLogP-0.50
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl N-[2-[4-(1-hydroxyethyl)triazol-1-yl]acetyl]carbamate
CID 81443796
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(4-methoxyphenyl)acetamide
CID 80742697
methyl 2-[4-(2-methylpropyl)triazol-1-yl]acetate
CID 163656493
2-[4-(1-hydroxyethyl)triazol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 81445204
methyl 2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetate
CID 115876973
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(3-methylbutyl)acetamide
CID 80744115
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(2-methoxyethylcarbamoyl)acetamide
CID 81444598
1-sulfanylethyl 2-(4-propan-2-yltriazol-1-yl)acetate
CID 155094676
methyl 2-(4-methylsulfanyltriazol-1-yl)acetate
CID 168968931
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 80735511
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
CID 81444411
methyl 2-[4-[(butan-2-ylamino)methyl]triazol-1-yl]acetate
CID 115895226

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(1S)-1-hydroxyethyl]triazol-1-yl]acetate?
The IUPAC name of methyl 2-[4-[(1S)-1-hydroxyethyl]triazol-1-yl]acetate (CID 95721059) is methyl 2-[4-[(1S)-1-hydroxyethyl]triazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-[(1S)-1-hydroxyethyl]triazol-1-yl]acetate?
The canonical SMILES for methyl 2-[4-[(1S)-1-hydroxyethyl]triazol-1-yl]acetate is COC(=O)Cn1cc([C@H](C)O)nn1.
What is the InChIKey of methyl 2-[4-[(1S)-1-hydroxyethyl]triazol-1-yl]acetate?
The InChIKey is MXGRRFUCRGENRR-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H11N3O3/c1-5(11)6-3-10(9-8-6)4-7(12)13-2/h3,5,11H,4H2,1-2H3/t5-/m0/s1.
What are the key properties of methyl 2-[4-[(1S)-1-hydroxyethyl]triazol-1-yl]acetate?
methyl 2-[4-[(1S)-1-hydroxyethyl]triazol-1-yl]acetate has a molecular weight of 185.18 g/mol, XLogP of -0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(1S)-1-hydroxyethyl]triazol-1-yl]acetate is sourced from PubChem (CID 95721059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).