propan-2-yl 2-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine-3-carboxylate

C14H20N2O3 — CID 67322223

IUPACpropan-2-yl 2-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine-3-carboxylate
SMILESCC(C)OC(=O)c1cccnc1OC[C@@H]1CCCN1
InChIInChI=1S/C14H20N2O3/c1-10(2)19-14(17)12-6-4-8-16-13(12)18-9-11-5-3-7-15-11/h4,6,8,10-11,15H,3,5,7,9H2,1-2H3/t11-/m0/s1
InChIKeyKODYQHXVRYAXTP-NSHDSACASA-N
MW264.32 g/mol
LogP1.78
Rot. Bonds5

About propan-2-yl 2-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine-3-carboxylate

propan-2-yl 2-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine-3-carboxylate (PubChem CID 67322223) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is propan-2-yl 2-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine-3-carboxylate
PubChem CID67322223
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namepropan-2-yl 2-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine-3-carboxylate
SMILESCC(C)OC(=O)c1cccnc1OC[C@@H]1CCCN1
InChIInChI=1S/C14H20N2O3/c1-10(2)19-14(17)12-6-4-8-16-13(12)18-9-11-5-3-7-15-11/h4,6,8,10-11,15H,3,5,7,9H2,1-2H3/t11-/m0/s1
InChIKeyKODYQHXVRYAXTP-NSHDSACASA-N
XLogP1.78
TPSA60.45 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 ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine-3-carboxylate?
The IUPAC name of propan-2-yl 2-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine-3-carboxylate (CID 67322223) is propan-2-yl 2-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine-3-carboxylate.
What is the SMILES notation for propan-2-yl 2-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine-3-carboxylate?
The canonical SMILES for propan-2-yl 2-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine-3-carboxylate is CC(C)OC(=O)c1cccnc1OC[C@@H]1CCCN1.
What is the InChIKey of propan-2-yl 2-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine-3-carboxylate?
The InChIKey is KODYQHXVRYAXTP-NSHDSACASA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(2)19-14(17)12-6-4-8-16-13(12)18-9-11-5-3-7-15-11/h4,6,8,10-11,15H,3,5,7,9H2,1-2H3/t11-/m0/s1.
What are the key properties of propan-2-yl 2-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine-3-carboxylate?
propan-2-yl 2-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine-3-carboxylate has a molecular weight of 264.32 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine-3-carboxylate is sourced from PubChem (CID 67322223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).