cyclopropylmethyl 3-[(1R)-1-phenylethyl]triazole-4-carboxylate

C15H17N3O2 — CID 167321480

IUPACcyclopropylmethyl 3-[(1R)-1-phenylethyl]triazole-4-carboxylate
SMILESC[C@H](c1ccccc1)n1nncc1C(=O)OCC1CC1
InChIInChI=1S/C15H17N3O2/c1-11(13-5-3-2-4-6-13)18-14(9-16-17-18)15(19)20-10-12-7-8-12/h2-6,9,11-12H,7-8,10H2,1H3/t11-/m1/s1
InChIKeyKCINPBGLDMLPTA-LLVKDONJSA-N
MW271.32 g/mol
LogP2.45
Rot. Bonds5

About cyclopropylmethyl 3-[(1R)-1-phenylethyl]triazole-4-carboxylate

cyclopropylmethyl 3-[(1R)-1-phenylethyl]triazole-4-carboxylate (PubChem CID 167321480) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is cyclopropylmethyl 3-[(1R)-1-phenylethyl]triazole-4-carboxylate.

Molecular Properties

Compound Namecyclopropylmethyl 3-[(1R)-1-phenylethyl]triazole-4-carboxylate
PubChem CID167321480
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Namecyclopropylmethyl 3-[(1R)-1-phenylethyl]triazole-4-carboxylate
SMILESC[C@H](c1ccccc1)n1nncc1C(=O)OCC1CC1
InChIInChI=1S/C15H17N3O2/c1-11(13-5-3-2-4-6-13)18-14(9-16-17-18)15(19)20-10-12-7-8-12/h2-6,9,11-12H,7-8,10H2,1H3/t11-/m1/s1
InChIKeyKCINPBGLDMLPTA-LLVKDONJSA-N
XLogP2.45
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

cyclopropyl 3-[(1R)-1-phenylethyl]triazole-4-carboxylate
CID 167321169
cyclopropylmethyl 5-chloro-3-[(1R)-1-phenylethyl]triazole-4-carboxylate
CID 167321635
2-bromo-1-[3-[(1R)-1-phenylethyl]triazol-4-yl]ethanone
CID 164851460
(3-methyloxetan-3-yl) 3-[(1R)-1-phenylethyl]triazole-4-carboxylate
CID 167321512
pent-1-en-3-yl 3-[(1R)-1-phenylethyl]triazole-4-carboxylate
CID 167321614
2,2-dimethoxy-1-[3-[(1R)-1-phenylethyl]triazol-4-yl]-2-propan-2-yloxyethanone
CID 167321581
[3-(cyclohexylmethoxy)-3-oxopropyl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
CID 118246228
(2-oxocyclohexyl)methyl 5-fluoro-3-[(1R)-1-phenylethyl]triazole-4-carboxylate
CID 167321550
5-N-(cyclopropylmethyl)-3-N-methyl-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide
CID 142418016
3-(cyclopropylmethoxy)-3-oxo-2-phenylpropanoic acid
CID 129239144
cyclohexylmethyl (2S)-2-phenylpropanoate
CID 134967383
cyclopropylmethyl 3-amino-2-phenylpropanoate
CID 62878848

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 3-[(1R)-1-phenylethyl]triazole-4-carboxylate?
The IUPAC name of cyclopropylmethyl 3-[(1R)-1-phenylethyl]triazole-4-carboxylate (CID 167321480) is cyclopropylmethyl 3-[(1R)-1-phenylethyl]triazole-4-carboxylate.
What is the SMILES notation for cyclopropylmethyl 3-[(1R)-1-phenylethyl]triazole-4-carboxylate?
The canonical SMILES for cyclopropylmethyl 3-[(1R)-1-phenylethyl]triazole-4-carboxylate is C[C@H](c1ccccc1)n1nncc1C(=O)OCC1CC1.
What is the InChIKey of cyclopropylmethyl 3-[(1R)-1-phenylethyl]triazole-4-carboxylate?
The InChIKey is KCINPBGLDMLPTA-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11(13-5-3-2-4-6-13)18-14(9-16-17-18)15(19)20-10-12-7-8-12/h2-6,9,11-12H,7-8,10H2,1H3/t11-/m1/s1.
What are the key properties of cyclopropylmethyl 3-[(1R)-1-phenylethyl]triazole-4-carboxylate?
cyclopropylmethyl 3-[(1R)-1-phenylethyl]triazole-4-carboxylate has a molecular weight of 271.32 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 3-[(1R)-1-phenylethyl]triazole-4-carboxylate is sourced from PubChem (CID 167321480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).