ethyl (2R)-1-[(2R)-2-pyridin-2-ylsulfanylpropanoyl]pyrrolidine-2-carboxylate

C15H20N2O3S — CID 125138000

IUPACethyl (2R)-1-[(2R)-2-pyridin-2-ylsulfanylpropanoyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@H]1CCCN1C(=O)[C@@H](C)Sc1ccccn1
InChIInChI=1S/C15H20N2O3S/c1-3-20-15(19)12-7-6-10-17(12)14(18)11(2)21-13-8-4-5-9-16-13/h4-5,8-9,11-12H,3,6-7,10H2,1-2H3/t11-,12-/m1/s1
InChIKeyXZBOHYMLWFKLIX-VXGBXAGGSA-N
MW308.40 g/mol
LogP2.12
Rot. Bonds5

About ethyl (2R)-1-[(2R)-2-pyridin-2-ylsulfanylpropanoyl]pyrrolidine-2-carboxylate

ethyl (2R)-1-[(2R)-2-pyridin-2-ylsulfanylpropanoyl]pyrrolidine-2-carboxylate (PubChem CID 125138000) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is ethyl (2R)-1-[(2R)-2-pyridin-2-ylsulfanylpropanoyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-1-[(2R)-2-pyridin-2-ylsulfanylpropanoyl]pyrrolidine-2-carboxylate
PubChem CID125138000
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Nameethyl (2R)-1-[(2R)-2-pyridin-2-ylsulfanylpropanoyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@H]1CCCN1C(=O)[C@@H](C)Sc1ccccn1
InChIInChI=1S/C15H20N2O3S/c1-3-20-15(19)12-7-6-10-17(12)14(18)11(2)21-13-8-4-5-9-16-13/h4-5,8-9,11-12H,3,6-7,10H2,1-2H3/t11-,12-/m1/s1
InChIKeyXZBOHYMLWFKLIX-VXGBXAGGSA-N
XLogP2.12
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(2-pyridin-2-ylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid
CID 164643877
ethyl 1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylate
CID 62028172
ethyl 1-(2-methylpyridine-3-carbonyl)piperidine-2-carboxylate
CID 21255125
ethyl (2R)-1-[[(1R)-1-phenylethyl]carbamoyl]pyrrolidine-2-carboxylate
CID 168891072
ethyl (2S)-1-[2-(4-hydroxyphenoxy)propanoyl]pyrrolidine-2-carboxylate
CID 141452248
ethyl (2S)-1-[(2R)-2-(dibenzylamino)-2-phenylacetyl]pyrrolidine-2-carboxylate
CID 57386993
tert-butyl (3R)-3-methyl-4-oxo-4-[(2S)-2-pyridin-2-ylsulfanylcarbonylpyrrolidin-1-yl]butanoate
CID 159016881
ethyl (2S)-1-(2-chlorobenzoyl)pyrrolidine-2-carboxylate
CID 71431618
ethyl 1-(2,3-dimethylbutanoyl)piperidine-2-carboxylate
CID 78958335
ethyl 1-(2-acetamidopropanoyl)pyrrolidine-2-carboxylate
CID 55006105
benzyl (2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylate
CID 13034409
ethyl (2R)-1-(1,3-benzothiazole-2-carbonyl)pyrrolidine-2-carboxylate
CID 122143740

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-1-[(2R)-2-pyridin-2-ylsulfanylpropanoyl]pyrrolidine-2-carboxylate?
The IUPAC name of ethyl (2R)-1-[(2R)-2-pyridin-2-ylsulfanylpropanoyl]pyrrolidine-2-carboxylate (CID 125138000) is ethyl (2R)-1-[(2R)-2-pyridin-2-ylsulfanylpropanoyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl (2R)-1-[(2R)-2-pyridin-2-ylsulfanylpropanoyl]pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl (2R)-1-[(2R)-2-pyridin-2-ylsulfanylpropanoyl]pyrrolidine-2-carboxylate is CCOC(=O)[C@H]1CCCN1C(=O)[C@@H](C)Sc1ccccn1.
What is the InChIKey of ethyl (2R)-1-[(2R)-2-pyridin-2-ylsulfanylpropanoyl]pyrrolidine-2-carboxylate?
The InChIKey is XZBOHYMLWFKLIX-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-3-20-15(19)12-7-6-10-17(12)14(18)11(2)21-13-8-4-5-9-16-13/h4-5,8-9,11-12H,3,6-7,10H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of ethyl (2R)-1-[(2R)-2-pyridin-2-ylsulfanylpropanoyl]pyrrolidine-2-carboxylate?
ethyl (2R)-1-[(2R)-2-pyridin-2-ylsulfanylpropanoyl]pyrrolidine-2-carboxylate has a molecular weight of 308.40 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-1-[(2R)-2-pyridin-2-ylsulfanylpropanoyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 125138000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).