butyl 6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxylate

C14H20N2O3 — CID 124663204

IUPACbutyl 6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxylate
SMILESCCCCOC(=O)c1cccc(N2CC[C@@H](O)C2)n1
InChIInChI=1S/C14H20N2O3/c1-2-3-9-19-14(18)12-5-4-6-13(15-12)16-8-7-11(17)10-16/h4-6,11,17H,2-3,7-10H2,1H3/t11-/m1/s1
InChIKeyZOHYNJHIOOLWRN-LLVKDONJSA-N
MW264.32 g/mol
LogP1.61
Rot. Bonds5

About butyl 6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxylate

butyl 6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxylate (PubChem CID 124663204) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is butyl 6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Namebutyl 6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxylate
PubChem CID124663204
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namebutyl 6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxylate
SMILESCCCCOC(=O)c1cccc(N2CC[C@@H](O)C2)n1
InChIInChI=1S/C14H20N2O3/c1-2-3-9-19-14(18)12-5-4-6-13(15-12)16-8-7-11(17)10-16/h4-6,11,17H,2-3,7-10H2,1H3/t11-/m1/s1
InChIKeyZOHYNJHIOOLWRN-LLVKDONJSA-N
XLogP1.61
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-O-butyl 6-O-dodecyl pyridine-2,6-dicarboxylate
CID 91735947
6-O-decyl 2-O-nonyl pyridine-2,6-dicarboxylate
CID 91725154
6-(3-hydroxyazetidin-1-yl)pyridine-2-carboxylic acid
CID 83830615
(3R)-1-(6-methyl-2-pyridinyl)pyrrolidin-3-ol
CID 103801636
ethyl 6-piperidin-1-ylpyridine-2-carboxylate
CID 146501154
1-[6-(propylamino)-2-pyridinyl]pyrrolidin-3-ol
CID 80823342
2-O-ethyl 6-O-tridecyl pyridine-2,6-dicarboxylate
CID 91732217
6-(3-propoxypiperidin-1-yl)pyridine-2-carboxylic acid
CID 62239893
2-O-butyl 6-O-(3-phenylpropyl) pyridine-2,6-dicarboxylate
CID 91710089
1-[6-(propan-2-yloxymethyl)-2-pyridinyl]pyrrolidin-3-ol
CID 164738532
2-O-heptadecyl 6-O-(3-methylbutyl) pyridine-2,6-dicarboxylate
CID 91725100
1-[2-(2-butoxy-4-fluorophenyl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 74250510

Frequently Asked Questions

What is the IUPAC name of butyl 6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxylate?
The IUPAC name of butyl 6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxylate (CID 124663204) is butyl 6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxylate.
What is the SMILES notation for butyl 6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxylate?
The canonical SMILES for butyl 6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxylate is CCCCOC(=O)c1cccc(N2CC[C@@H](O)C2)n1.
What is the InChIKey of butyl 6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxylate?
The InChIKey is ZOHYNJHIOOLWRN-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-3-9-19-14(18)12-5-4-6-13(15-12)16-8-7-11(17)10-16/h4-6,11,17H,2-3,7-10H2,1H3/t11-/m1/s1.
What are the key properties of butyl 6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxylate?
butyl 6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxylate has a molecular weight of 264.32 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxylate is sourced from PubChem (CID 124663204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).