methyl (2S)-2-cyclopentyl-2-pyridin-3-ylacetate

C13H17NO2 — CID 129395618

IUPACmethyl (2S)-2-cyclopentyl-2-pyridin-3-ylacetate
SMILESCOC(=O)[C@H](c1cccnc1)C1CCCC1
InChIInChI=1S/C13H17NO2/c1-16-13(15)12(10-5-2-3-6-10)11-7-4-8-14-9-11/h4,7-10,12H,2-3,5-6H2,1H3/t12-/m0/s1
InChIKeyVVXUEEFMMYSBDY-LBPRGKRZSA-N
MW219.28 g/mol
LogP2.53
Rot. Bonds3

About methyl (2S)-2-cyclopentyl-2-pyridin-3-ylacetate

methyl (2S)-2-cyclopentyl-2-pyridin-3-ylacetate (PubChem CID 129395618) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is methyl (2S)-2-cyclopentyl-2-pyridin-3-ylacetate.

Molecular Properties

Compound Namemethyl (2S)-2-cyclopentyl-2-pyridin-3-ylacetate
PubChem CID129395618
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Namemethyl (2S)-2-cyclopentyl-2-pyridin-3-ylacetate
SMILESCOC(=O)[C@H](c1cccnc1)C1CCCC1
InChIInChI=1S/C13H17NO2/c1-16-13(15)12(10-5-2-3-6-10)11-7-4-8-14-9-11/h4,7-10,12H,2-3,5-6H2,1H3/t12-/m0/s1
InChIKeyVVXUEEFMMYSBDY-LBPRGKRZSA-N
XLogP2.53
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(cyclopropylamino)-2-pyridin-3-ylacetate
CID 60795276
methyl 2-cyclopropyl-2-phenylacetate
CID 82075532
(S)-cyclohexyl(pyridin-3-yl)methanamine
CID 51888927
methyl (2R)-2-cyclopentyl-2-(4-fluorophenyl)acetate
CID 124640320
methyl (2S)-2-hydroxy-2-pyridin-3-ylacetate;hydrochloride
CID 146049161
methyl (2R)-2-(4-chlorophenyl)-2-cycloheptylacetate
CID 15317241
methyl 2-[3-(bromomethyl)phenyl]-2-cyclopentylacetate
CID 21255098
methyl 3-piperidin-1-yl-2-pyridin-3-ylpropanoate
CID 117241306
methyl 3-oxo-2-pyridin-3-ylbutanoate
CID 54382614
(2R)-2-(cyclopentylamino)-2-pyridin-3-ylacetic acid
CID 93412375
methyl (2R)-2-phenyl-2-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]acetate
CID 52943482
methyl (2S)-3-amino-2-pyridin-3-ylpropanoate
CID 57242808

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-cyclopentyl-2-pyridin-3-ylacetate?
The IUPAC name of methyl (2S)-2-cyclopentyl-2-pyridin-3-ylacetate (CID 129395618) is methyl (2S)-2-cyclopentyl-2-pyridin-3-ylacetate.
What is the SMILES notation for methyl (2S)-2-cyclopentyl-2-pyridin-3-ylacetate?
The canonical SMILES for methyl (2S)-2-cyclopentyl-2-pyridin-3-ylacetate is COC(=O)[C@H](c1cccnc1)C1CCCC1.
What is the InChIKey of methyl (2S)-2-cyclopentyl-2-pyridin-3-ylacetate?
The InChIKey is VVXUEEFMMYSBDY-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H17NO2/c1-16-13(15)12(10-5-2-3-6-10)11-7-4-8-14-9-11/h4,7-10,12H,2-3,5-6H2,1H3/t12-/m0/s1.
What are the key properties of methyl (2S)-2-cyclopentyl-2-pyridin-3-ylacetate?
methyl (2S)-2-cyclopentyl-2-pyridin-3-ylacetate has a molecular weight of 219.28 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-cyclopentyl-2-pyridin-3-ylacetate is sourced from PubChem (CID 129395618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).