oxolan-2-ylmethyl pyrrolidine-3-carboxylate

C10H17NO3 — CID 63031488

IUPACoxolan-2-ylmethyl pyrrolidine-3-carboxylate
SMILESO=C(OCC1CCCO1)C1CCNC1
InChIInChI=1S/C10H17NO3/c12-10(8-3-4-11-6-8)14-7-9-2-1-5-13-9/h8-9,11H,1-7H2
InChIKeyXEUYIACWKQQULV-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.32
Rot. Bonds3

About oxolan-2-ylmethyl pyrrolidine-3-carboxylate

oxolan-2-ylmethyl pyrrolidine-3-carboxylate (PubChem CID 63031488) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is oxolan-2-ylmethyl pyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl pyrrolidine-3-carboxylate
PubChem CID63031488
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nameoxolan-2-ylmethyl pyrrolidine-3-carboxylate
SMILESO=C(OCC1CCCO1)C1CCNC1
InChIInChI=1S/C10H17NO3/c12-10(8-3-4-11-6-8)14-7-9-2-1-5-13-9/h8-9,11H,1-7H2
InChIKeyXEUYIACWKQQULV-UHFFFAOYSA-N
XLogP0.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

oxan-2-ylmethyl (3S)-piperidine-3-carboxylate
CID 81126221
oxan-2-ylmethyl piperidine-3-carboxylate
CID 61279233
cis-oxolan-2-ylmethyl (1R,3S)-3-aminocyclopentane-1-carboxylate
CID 106323805
oxolan-2-ylmethyl piperidine-2-carboxylate
CID 61279092
oxolan-2-ylmethyl (2R)-piperidine-2-carboxylate
CID 79034768
[(2S)-oxolan-2-yl]methyl 1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylate
CID 97080553
oxolan-2-ylmethyl 2-piperidin-4-yloxyacetate
CID 63869920
(3S)-3-[[(2R)-oxolan-2-yl]methoxy]pyrrolidine
CID 26191909
oxan-2-ylmethyl azepane-2-carboxylate
CID 64561712
oxan-2-ylmethyl 3-aminocyclohexane-1-carboxylate
CID 55148465
2-oxo-2-(oxolan-2-ylmethoxy)acetic acid
CID 154107225
3-(oxolan-2-ylmethoxymethyl)pyrrolidine
CID 62372457

Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl pyrrolidine-3-carboxylate?
The IUPAC name of oxolan-2-ylmethyl pyrrolidine-3-carboxylate (CID 63031488) is oxolan-2-ylmethyl pyrrolidine-3-carboxylate.
What is the SMILES notation for oxolan-2-ylmethyl pyrrolidine-3-carboxylate?
The canonical SMILES for oxolan-2-ylmethyl pyrrolidine-3-carboxylate is O=C(OCC1CCCO1)C1CCNC1.
What is the InChIKey of oxolan-2-ylmethyl pyrrolidine-3-carboxylate?
The InChIKey is XEUYIACWKQQULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c12-10(8-3-4-11-6-8)14-7-9-2-1-5-13-9/h8-9,11H,1-7H2.
What are the key properties of oxolan-2-ylmethyl pyrrolidine-3-carboxylate?
oxolan-2-ylmethyl pyrrolidine-3-carboxylate has a molecular weight of 199.25 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl pyrrolidine-3-carboxylate is sourced from PubChem (CID 63031488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).