propan-2-yl (2R)-2-hydroxy-3-(1,2,4-triazol-1-yl)propanoate

C8H13N3O3 — CID 155021741

IUPACpropan-2-yl (2R)-2-hydroxy-3-(1,2,4-triazol-1-yl)propanoate
SMILESCC(C)OC(=O)[C@H](O)Cn1cncn1
InChIInChI=1S/C8H13N3O3/c1-6(2)14-8(13)7(12)3-11-5-9-4-10-11/h4-7,12H,3H2,1-2H3/t7-/m1/s1
InChIKeyFAPFAVSLAHTWNG-SSDOTTSWSA-N
MW199.21 g/mol
LogP-0.41
Rot. Bonds4

About propan-2-yl (2R)-2-hydroxy-3-(1,2,4-triazol-1-yl)propanoate

propan-2-yl (2R)-2-hydroxy-3-(1,2,4-triazol-1-yl)propanoate (PubChem CID 155021741) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is propan-2-yl (2R)-2-hydroxy-3-(1,2,4-triazol-1-yl)propanoate.

Molecular Properties

Compound Namepropan-2-yl (2R)-2-hydroxy-3-(1,2,4-triazol-1-yl)propanoate
PubChem CID155021741
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Namepropan-2-yl (2R)-2-hydroxy-3-(1,2,4-triazol-1-yl)propanoate
SMILESCC(C)OC(=O)[C@H](O)Cn1cncn1
InChIInChI=1S/C8H13N3O3/c1-6(2)14-8(13)7(12)3-11-5-9-4-10-11/h4-7,12H,3H2,1-2H3/t7-/m1/s1
InChIKeyFAPFAVSLAHTWNG-SSDOTTSWSA-N
XLogP-0.41
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 ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze propan-2-yl (2R)-2-hydroxy-3-(1,2,4-triazol-1-yl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2R)-2-hydroxy-3-(1,2,4-triazol-1-yl)propanoate?
The IUPAC name of propan-2-yl (2R)-2-hydroxy-3-(1,2,4-triazol-1-yl)propanoate (CID 155021741) is propan-2-yl (2R)-2-hydroxy-3-(1,2,4-triazol-1-yl)propanoate.
What is the SMILES notation for propan-2-yl (2R)-2-hydroxy-3-(1,2,4-triazol-1-yl)propanoate?
The canonical SMILES for propan-2-yl (2R)-2-hydroxy-3-(1,2,4-triazol-1-yl)propanoate is CC(C)OC(=O)[C@H](O)Cn1cncn1.
What is the InChIKey of propan-2-yl (2R)-2-hydroxy-3-(1,2,4-triazol-1-yl)propanoate?
The InChIKey is FAPFAVSLAHTWNG-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-6(2)14-8(13)7(12)3-11-5-9-4-10-11/h4-7,12H,3H2,1-2H3/t7-/m1/s1.
What are the key properties of propan-2-yl (2R)-2-hydroxy-3-(1,2,4-triazol-1-yl)propanoate?
propan-2-yl (2R)-2-hydroxy-3-(1,2,4-triazol-1-yl)propanoate has a molecular weight of 199.21 g/mol, XLogP of -0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2R)-2-hydroxy-3-(1,2,4-triazol-1-yl)propanoate is sourced from PubChem (CID 155021741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).