ethyl (2R)-2-hydroxy-3-(5-methyl-1,2,4-triazol-1-yl)propanoate

C8H13N3O3 — CID 155660304

IUPACethyl (2R)-2-hydroxy-3-(5-methyl-1,2,4-triazol-1-yl)propanoate
SMILESCCOC(=O)[C@H](O)Cn1ncnc1C
InChIInChI=1S/C8H13N3O3/c1-3-14-8(13)7(12)4-11-6(2)9-5-10-11/h5,7,12H,3-4H2,1-2H3/t7-/m1/s1
InChIKeyTUNWHMPEMXZWBZ-SSDOTTSWSA-N
MW199.21 g/mol
LogP-0.49
Rot. Bonds4

About ethyl (2R)-2-hydroxy-3-(5-methyl-1,2,4-triazol-1-yl)propanoate

ethyl (2R)-2-hydroxy-3-(5-methyl-1,2,4-triazol-1-yl)propanoate (PubChem CID 155660304) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is ethyl (2R)-2-hydroxy-3-(5-methyl-1,2,4-triazol-1-yl)propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-hydroxy-3-(5-methyl-1,2,4-triazol-1-yl)propanoate
PubChem CID155660304
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Nameethyl (2R)-2-hydroxy-3-(5-methyl-1,2,4-triazol-1-yl)propanoate
SMILESCCOC(=O)[C@H](O)Cn1ncnc1C
InChIInChI=1S/C8H13N3O3/c1-3-14-8(13)7(12)4-11-6(2)9-5-10-11/h5,7,12H,3-4H2,1-2H3/t7-/m1/s1
InChIKeyTUNWHMPEMXZWBZ-SSDOTTSWSA-N
XLogP-0.49
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-hydroxy-3-(5-methyl-1,2,4-triazol-1-yl)propanoate?
The IUPAC name of ethyl (2R)-2-hydroxy-3-(5-methyl-1,2,4-triazol-1-yl)propanoate (CID 155660304) is ethyl (2R)-2-hydroxy-3-(5-methyl-1,2,4-triazol-1-yl)propanoate.
What is the SMILES notation for ethyl (2R)-2-hydroxy-3-(5-methyl-1,2,4-triazol-1-yl)propanoate?
The canonical SMILES for ethyl (2R)-2-hydroxy-3-(5-methyl-1,2,4-triazol-1-yl)propanoate is CCOC(=O)[C@H](O)Cn1ncnc1C.
What is the InChIKey of ethyl (2R)-2-hydroxy-3-(5-methyl-1,2,4-triazol-1-yl)propanoate?
The InChIKey is TUNWHMPEMXZWBZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-3-14-8(13)7(12)4-11-6(2)9-5-10-11/h5,7,12H,3-4H2,1-2H3/t7-/m1/s1.
What are the key properties of ethyl (2R)-2-hydroxy-3-(5-methyl-1,2,4-triazol-1-yl)propanoate?
ethyl (2R)-2-hydroxy-3-(5-methyl-1,2,4-triazol-1-yl)propanoate has a molecular weight of 199.21 g/mol, XLogP of -0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-hydroxy-3-(5-methyl-1,2,4-triazol-1-yl)propanoate is sourced from PubChem (CID 155660304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).