cyclopentyl 2-hydroxy-3-pyrazin-2-ylpropanoate

C12H16N2O3 — CID 137462803

IUPACcyclopentyl 2-hydroxy-3-pyrazin-2-ylpropanoate
SMILESO=C(OC1CCCC1)C(O)Cc1cnccn1
InChIInChI=1S/C12H16N2O3/c15-11(7-9-8-13-5-6-14-9)12(16)17-10-3-1-2-4-10/h5-6,8,10-11,15H,1-4,7H2
InChIKeyVARWFBOZEMARBR-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.87
Rot. Bonds4

About cyclopentyl 2-hydroxy-3-pyrazin-2-ylpropanoate

cyclopentyl 2-hydroxy-3-pyrazin-2-ylpropanoate (PubChem CID 137462803) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is cyclopentyl 2-hydroxy-3-pyrazin-2-ylpropanoate.

Molecular Properties

Compound Namecyclopentyl 2-hydroxy-3-pyrazin-2-ylpropanoate
PubChem CID137462803
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Namecyclopentyl 2-hydroxy-3-pyrazin-2-ylpropanoate
SMILESO=C(OC1CCCC1)C(O)Cc1cnccn1
InChIInChI=1S/C12H16N2O3/c15-11(7-9-8-13-5-6-14-9)12(16)17-10-3-1-2-4-10/h5-6,8,10-11,15H,1-4,7H2
InChIKeyVARWFBOZEMARBR-UHFFFAOYSA-N
XLogP0.87
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-cyclopentyloxyphenyl)-3-[(2R)-1-pyrazin-2-ylpropan-2-yl]urea
CID 97453321
(2S)-2-amino-3-pyrazin-2-ylpropanoic acid;hydrochloride
CID 178184520
cycloheptyl (2S)-4-amino-2-hydroxybutanoate
CID 107837588
N-(pyrazin-2-ylmethyl)cyclopentanamine
CID 60985603
N-(pyrazin-2-ylmethyl)cyclooctanamine
CID 62761254
1-cyclopropyl-N-methyl-2-pyrazin-2-ylethanamine
CID 63352943
2-cyclopentyloxy-N-(pyrazin-2-ylmethyl)ethanamine
CID 63825157
(2S)-1,1,1-trifluoro-3-pyrazin-2-ylpropan-2-ol
CID 44514042
cyclopentyl pyrimidine-5-carboxylate
CID 59148591
1,4-di(pyrazin-2-yl)butane-2,3-dione
CID 57316761
2-ethyl-3-hydroxy-2-methyl-4-pyrazin-2-ylbutanoic acid
CID 70578456
cyclooctyl 2-pyridin-2-ylacetate
CID 15055568

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 2-hydroxy-3-pyrazin-2-ylpropanoate?
The IUPAC name of cyclopentyl 2-hydroxy-3-pyrazin-2-ylpropanoate (CID 137462803) is cyclopentyl 2-hydroxy-3-pyrazin-2-ylpropanoate.
What is the SMILES notation for cyclopentyl 2-hydroxy-3-pyrazin-2-ylpropanoate?
The canonical SMILES for cyclopentyl 2-hydroxy-3-pyrazin-2-ylpropanoate is O=C(OC1CCCC1)C(O)Cc1cnccn1.
What is the InChIKey of cyclopentyl 2-hydroxy-3-pyrazin-2-ylpropanoate?
The InChIKey is VARWFBOZEMARBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c15-11(7-9-8-13-5-6-14-9)12(16)17-10-3-1-2-4-10/h5-6,8,10-11,15H,1-4,7H2.
What are the key properties of cyclopentyl 2-hydroxy-3-pyrazin-2-ylpropanoate?
cyclopentyl 2-hydroxy-3-pyrazin-2-ylpropanoate has a molecular weight of 236.27 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 2-hydroxy-3-pyrazin-2-ylpropanoate is sourced from PubChem (CID 137462803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).