methyl 4-hydroxy-1-(2-pyridin-3-ylacetyl)pyrrolidine-2-carboxylate

C13H16N2O4 — CID 112632372

IUPACmethyl 4-hydroxy-1-(2-pyridin-3-ylacetyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1C(=O)Cc1cccnc1
InChIInChI=1S/C13H16N2O4/c1-19-13(18)11-6-10(16)8-15(11)12(17)5-9-3-2-4-14-7-9/h2-4,7,10-11,16H,5-6,8H2,1H3
InChIKeyWNMNSHVFMOZWNY-UHFFFAOYSA-N
MW264.28 g/mol
LogP-0.24
Rot. Bonds3

About methyl 4-hydroxy-1-(2-pyridin-3-ylacetyl)pyrrolidine-2-carboxylate

methyl 4-hydroxy-1-(2-pyridin-3-ylacetyl)pyrrolidine-2-carboxylate (PubChem CID 112632372) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is methyl 4-hydroxy-1-(2-pyridin-3-ylacetyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-1-(2-pyridin-3-ylacetyl)pyrrolidine-2-carboxylate
PubChem CID112632372
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Namemethyl 4-hydroxy-1-(2-pyridin-3-ylacetyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1C(=O)Cc1cccnc1
InChIInChI=1S/C13H16N2O4/c1-19-13(18)11-6-10(16)8-15(11)12(17)5-9-3-2-4-14-7-9/h2-4,7,10-11,16H,5-6,8H2,1H3
InChIKeyWNMNSHVFMOZWNY-UHFFFAOYSA-N
XLogP-0.24
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-1-(3-pyridin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid
CID 43356906
methyl 4-hydroxy-1-(3-phenylpropanoyl)pyrrolidine-2-carboxylate
CID 115970990
methyl (2S,4S)-4-amino-1-(2-pyridin-4-ylacetyl)pyrrolidine-2-carboxylate
CID 139683871
methyl (3R,6S)-6-methyl-1-(2-pyridin-3-ylacetyl)piperidine-3-carboxylate
CID 169210710
methyl (2S,4R)-4-hydroxy-1-(pyridine-3-carbonyl)piperidine-2-carboxylate
CID 133137955
methyl 4-hydroxy-1-[3-(4-methylphenyl)propanoyl]pyrrolidine-2-carboxylate
CID 115970997
methyl 4-hydroxy-1-[2-(triazol-1-yl)acetyl]pyrrolidine-2-carboxylate
CID 112632463
methyl 1-heptanoyl-4-hydroxypyrrolidine-2-carboxylate
CID 112632311
methyl (2S,4S)-1-(furan-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylate
CID 1480349
methyl 4-hydroxy-1-(6-methylpyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 112632300
methyl (2S)-1-[2-[4-[4-(pyridin-3-ylmethylamino)piperidin-1-yl]phenyl]acetyl]pyrrolidine-2-carboxylate
CID 126462568
methyl (2S,4R)-4-methoxy-1-[2-(3-methylphenyl)acetyl]pyrrolidine-2-carboxylate
CID 100704929

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-1-(2-pyridin-3-ylacetyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 4-hydroxy-1-(2-pyridin-3-ylacetyl)pyrrolidine-2-carboxylate (CID 112632372) is methyl 4-hydroxy-1-(2-pyridin-3-ylacetyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-1-(2-pyridin-3-ylacetyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 4-hydroxy-1-(2-pyridin-3-ylacetyl)pyrrolidine-2-carboxylate is COC(=O)C1CC(O)CN1C(=O)Cc1cccnc1.
What is the InChIKey of methyl 4-hydroxy-1-(2-pyridin-3-ylacetyl)pyrrolidine-2-carboxylate?
The InChIKey is WNMNSHVFMOZWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-19-13(18)11-6-10(16)8-15(11)12(17)5-9-3-2-4-14-7-9/h2-4,7,10-11,16H,5-6,8H2,1H3.
What are the key properties of methyl 4-hydroxy-1-(2-pyridin-3-ylacetyl)pyrrolidine-2-carboxylate?
methyl 4-hydroxy-1-(2-pyridin-3-ylacetyl)pyrrolidine-2-carboxylate has a molecular weight of 264.28 g/mol, XLogP of -0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-1-(2-pyridin-3-ylacetyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 112632372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).