methyl (2R)-2-(4-cyclopropyltriazol-1-yl)propanoate

C9H13N3O2 — CID 59275121

IUPACmethyl (2R)-2-(4-cyclopropyltriazol-1-yl)propanoate
SMILESCOC(=O)[C@@H](C)n1cc(C2CC2)nn1
InChIInChI=1S/C9H13N3O2/c1-6(9(13)14-2)12-5-8(10-11-12)7-3-4-7/h5-7H,3-4H2,1-2H3/t6-/m1/s1
InChIKeyLCETVFJEYLBOKU-ZCFIWIBFSA-N
MW195.22 g/mol
LogP0.89
Rot. Bonds3

About methyl (2R)-2-(4-cyclopropyltriazol-1-yl)propanoate

methyl (2R)-2-(4-cyclopropyltriazol-1-yl)propanoate (PubChem CID 59275121) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is methyl (2R)-2-(4-cyclopropyltriazol-1-yl)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(4-cyclopropyltriazol-1-yl)propanoate
PubChem CID59275121
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Namemethyl (2R)-2-(4-cyclopropyltriazol-1-yl)propanoate
SMILESCOC(=O)[C@@H](C)n1cc(C2CC2)nn1
InChIInChI=1S/C9H13N3O2/c1-6(9(13)14-2)12-5-8(10-11-12)7-3-4-7/h5-7H,3-4H2,1-2H3/t6-/m1/s1
InChIKeyLCETVFJEYLBOKU-ZCFIWIBFSA-N
XLogP0.89
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(4-cyclopropyltriazol-1-yl)propanoate?
The IUPAC name of methyl (2R)-2-(4-cyclopropyltriazol-1-yl)propanoate (CID 59275121) is methyl (2R)-2-(4-cyclopropyltriazol-1-yl)propanoate.
What is the SMILES notation for methyl (2R)-2-(4-cyclopropyltriazol-1-yl)propanoate?
The canonical SMILES for methyl (2R)-2-(4-cyclopropyltriazol-1-yl)propanoate is COC(=O)[C@@H](C)n1cc(C2CC2)nn1.
What is the InChIKey of methyl (2R)-2-(4-cyclopropyltriazol-1-yl)propanoate?
The InChIKey is LCETVFJEYLBOKU-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-6(9(13)14-2)12-5-8(10-11-12)7-3-4-7/h5-7H,3-4H2,1-2H3/t6-/m1/s1.
What are the key properties of methyl (2R)-2-(4-cyclopropyltriazol-1-yl)propanoate?
methyl (2R)-2-(4-cyclopropyltriazol-1-yl)propanoate has a molecular weight of 195.22 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(4-cyclopropyltriazol-1-yl)propanoate is sourced from PubChem (CID 59275121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).