oxan-4-ylmethyl pyrrolidine-2-carboxylate

C11H19NO3 — CID 62383642

IUPACoxan-4-ylmethyl pyrrolidine-2-carboxylate
SMILESO=C(OCC1CCOCC1)C1CCCN1
InChIInChI=1S/C11H19NO3/c13-11(10-2-1-5-12-10)15-8-9-3-6-14-7-4-9/h9-10,12H,1-8H2
InChIKeyOMOQUUXJNRSLEG-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.71
Rot. Bonds3

About oxan-4-ylmethyl pyrrolidine-2-carboxylate

oxan-4-ylmethyl pyrrolidine-2-carboxylate (PubChem CID 62383642) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is oxan-4-ylmethyl pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameoxan-4-ylmethyl pyrrolidine-2-carboxylate
PubChem CID62383642
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nameoxan-4-ylmethyl pyrrolidine-2-carboxylate
SMILESO=C(OCC1CCOCC1)C1CCCN1
InChIInChI=1S/C11H19NO3/c13-11(10-2-1-5-12-10)15-8-9-3-6-14-7-4-9/h9-10,12H,1-8H2
InChIKeyOMOQUUXJNRSLEG-UHFFFAOYSA-N
XLogP0.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropylmethyl (2S)-piperidine-2-carboxylate
CID 66262951
oxan-4-ylmethyl (2S)-4-hydroxypyrrolidine-2-carboxylate
CID 62382168
oxan-4-ylmethyl oxane-4-carboxylate
CID 67654592
2-cyclopropylethyl (2R)-pyrrolidine-2-carboxylate
CID 106202472
2-cyclopropylethyl (2S)-pyrrolidine-2-carboxylate
CID 106202565
chloromethyl pyrrolidine-2-carboxylate
CID 68787302
2-aminoethyl pyrrolidine-2-carboxylate
CID 91476138
oxolan-2-ylmethyl piperidine-2-carboxylate
CID 61279092
oxolan-2-ylmethyl (2R)-piperidine-2-carboxylate
CID 79034768
N-(oxan-4-ylmethyl)azocane-2-carboxamide
CID 114240145
2-cyclobutylethyl (2S)-pyrrolidine-2-carboxylate
CID 106202899
oxan-2-ylmethyl azepane-2-carboxylate
CID 64561712

Frequently Asked Questions

What is the IUPAC name of oxan-4-ylmethyl pyrrolidine-2-carboxylate?
The IUPAC name of oxan-4-ylmethyl pyrrolidine-2-carboxylate (CID 62383642) is oxan-4-ylmethyl pyrrolidine-2-carboxylate.
What is the SMILES notation for oxan-4-ylmethyl pyrrolidine-2-carboxylate?
The canonical SMILES for oxan-4-ylmethyl pyrrolidine-2-carboxylate is O=C(OCC1CCOCC1)C1CCCN1.
What is the InChIKey of oxan-4-ylmethyl pyrrolidine-2-carboxylate?
The InChIKey is OMOQUUXJNRSLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c13-11(10-2-1-5-12-10)15-8-9-3-6-14-7-4-9/h9-10,12H,1-8H2.
What are the key properties of oxan-4-ylmethyl pyrrolidine-2-carboxylate?
oxan-4-ylmethyl pyrrolidine-2-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-ylmethyl pyrrolidine-2-carboxylate is sourced from PubChem (CID 62383642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).