methyl 4-hydroxy-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylate

C12H16N2O3 — CID 112632795

IUPACmethyl 4-hydroxy-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1Cc1ccccn1
InChIInChI=1S/C12H16N2O3/c1-17-12(16)11-6-10(15)8-14(11)7-9-4-2-3-5-13-9/h2-5,10-11,15H,6-8H2,1H3
InChIKeyYQNIGMZORVLFAV-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.19
Rot. Bonds3

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

methyl 4-hydroxy-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylate (PubChem CID 112632795) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is methyl 4-hydroxy-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylate
PubChem CID112632795
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Namemethyl 4-hydroxy-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1Cc1ccccn1
InChIInChI=1S/C12H16N2O3/c1-17-12(16)11-6-10(15)8-14(11)7-9-4-2-3-5-13-9/h2-5,10-11,15H,6-8H2,1H3
InChIKeyYQNIGMZORVLFAV-UHFFFAOYSA-N
XLogP0.19
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-hydroxy-1-[(6-methoxy-2-pyridinyl)methyl]pyrrolidine-2-carboxylate
CID 112632824
methyl 1-[(2-chlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxylate
CID 112632963
methyl 1-[(2-ethoxyphenyl)methyl]-4-hydroxypyrrolidine-2-carboxylate
CID 115971497
methyl (2S,4R)-4-hydroxy-1-[(5-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidine-2-carboxylate
CID 99779014
methyl 1-(furan-2-ylmethyl)-4-hydroxypyrrolidine-2-carboxylate
CID 112632882
methyl (2S,4S)-4-hydroxy-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxylate
CID 103886932
methyl (2S,4S)-4-hydroxy-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxylate
CID 71918050
methyl (2R,4R)-4-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxylate
CID 134263030
methyl 4-hydroxy-1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidine-2-carboxylate
CID 112632716
methyl (3R)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxylate
CID 142605385
methyl (2R,4R)-4-hydroxy-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidine-2-carboxylate
CID 99822568
4-[(4-hydroxy-2-methoxycarbonylpyrrolidin-1-yl)methyl]benzoic acid
CID 115971503

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 4-hydroxy-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylate (CID 112632795) is methyl 4-hydroxy-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 4-hydroxy-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylate is COC(=O)C1CC(O)CN1Cc1ccccn1.
What is the InChIKey of methyl 4-hydroxy-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylate?
The InChIKey is YQNIGMZORVLFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-17-12(16)11-6-10(15)8-14(11)7-9-4-2-3-5-13-9/h2-5,10-11,15H,6-8H2,1H3.
What are the key properties of methyl 4-hydroxy-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylate?
methyl 4-hydroxy-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylate has a molecular weight of 236.27 g/mol, XLogP of 0.19, 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-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 112632795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).