4-hydroxy-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid

C12H16N2O3 — CID 114351745

IUPAC4-hydroxy-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
SMILESCc1cccc(CN2CC(O)CC2C(=O)O)n1
InChIInChI=1S/C12H16N2O3/c1-8-3-2-4-9(13-8)6-14-7-10(15)5-11(14)12(16)17/h2-4,10-11,15H,5-7H2,1H3,(H,16,17)
InChIKeyPULPQFWFBXAPSV-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.41
Rot. Bonds3

About 4-hydroxy-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid

4-hydroxy-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid (PubChem CID 114351745) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-hydroxy-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
PubChem CID114351745
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name4-hydroxy-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
SMILESCc1cccc(CN2CC(O)CC2C(=O)O)n1
InChIInChI=1S/C12H16N2O3/c1-8-3-2-4-9(13-8)6-14-7-10(15)5-11(14)12(16)17/h2-4,10-11,15H,5-7H2,1H3,(H,16,17)
InChIKeyPULPQFWFBXAPSV-UHFFFAOYSA-N
XLogP0.41
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-2-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 104895930
(2R,4R)-4-hydroxy-1-[(6-methyl-2-pyridinyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78999350
3-methyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
CID 102785835
methyl 4-hydroxy-1-[(6-methoxy-2-pyridinyl)methyl]pyrrolidine-2-carboxylate
CID 112632824
4-hydroxy-1-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid
CID 114351359
(2S,4R)-4-hydroxy-1-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 91838505
4-hydroxy-1-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 114351529
(2R,4S)-4-hydroxy-1-[(8-methoxyquinolin-2-yl)methyl]piperidine-2-carboxylic acid
CID 50964999
4-hydroxy-1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 114351775
(6S)-1-benzyl-4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-6-ol
CID 97285618
1-[(4-tert-butylphenyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351284
1-[(6-methyl-2-pyridinyl)methyl]piperidine-3,4-dicarboxylic acid
CID 115918772

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid (CID 114351745) is 4-hydroxy-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid is Cc1cccc(CN2CC(O)CC2C(=O)O)n1.
What is the InChIKey of 4-hydroxy-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is PULPQFWFBXAPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8-3-2-4-9(13-8)6-14-7-10(15)5-11(14)12(16)17/h2-4,10-11,15H,5-7H2,1H3,(H,16,17).
What are the key properties of 4-hydroxy-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid?
4-hydroxy-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 114351745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).