oxan-4-ylmethyl (2S)-4-hydroxypyrrolidine-2-carboxylate

C11H19NO4 — CID 62382168

IUPACoxan-4-ylmethyl (2S)-4-hydroxypyrrolidine-2-carboxylate
SMILESO=C(OCC1CCOCC1)[C@@H]1CC(O)CN1
InChIInChI=1S/C11H19NO4/c13-9-5-10(12-6-9)11(14)16-7-8-1-3-15-4-2-8/h8-10,12-13H,1-7H2/t9?,10-/m0/s1
InChIKeyIHIQUWWYQYICEN-AXDSSHIGSA-N
MW229.28 g/mol
LogP-0.32
Rot. Bonds3

About oxan-4-ylmethyl (2S)-4-hydroxypyrrolidine-2-carboxylate

oxan-4-ylmethyl (2S)-4-hydroxypyrrolidine-2-carboxylate (PubChem CID 62382168) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is oxan-4-ylmethyl (2S)-4-hydroxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameoxan-4-ylmethyl (2S)-4-hydroxypyrrolidine-2-carboxylate
PubChem CID62382168
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Nameoxan-4-ylmethyl (2S)-4-hydroxypyrrolidine-2-carboxylate
SMILESO=C(OCC1CCOCC1)[C@@H]1CC(O)CN1
InChIInChI=1S/C11H19NO4/c13-9-5-10(12-6-9)11(14)16-7-8-1-3-15-4-2-8/h8-10,12-13H,1-7H2/t9?,10-/m0/s1
InChIKeyIHIQUWWYQYICEN-AXDSSHIGSA-N
XLogP-0.32
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

oxan-4-ylmethyl pyrrolidine-2-carboxylate
CID 62383642
oxan-4-ylmethyl oxane-4-carboxylate
CID 67654592
amino (2S,4R)-4-hydroxypyrrolidine-2-carboxylate
CID 159655489
cyclopropylmethyl 4-methoxypyrrolidine-2-carboxylate
CID 61151115
cis-oxan-4-ylmethyl (1R,3S)-3-aminocyclopentane-1-carboxylate
CID 106323850
butyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate
CID 63843699
oxan-4-ylmethyl carbamate
CID 134587773
oxan-4-ylmethyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate
CID 62382907
pentyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate
CID 63842504
2-(2-methoxyethoxy)ethyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate
CID 104563509
4-hydroxy-N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide
CID 119797799
methyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
CID 7021050

Frequently Asked Questions

What is the IUPAC name of oxan-4-ylmethyl (2S)-4-hydroxypyrrolidine-2-carboxylate?
The IUPAC name of oxan-4-ylmethyl (2S)-4-hydroxypyrrolidine-2-carboxylate (CID 62382168) is oxan-4-ylmethyl (2S)-4-hydroxypyrrolidine-2-carboxylate.
What is the SMILES notation for oxan-4-ylmethyl (2S)-4-hydroxypyrrolidine-2-carboxylate?
The canonical SMILES for oxan-4-ylmethyl (2S)-4-hydroxypyrrolidine-2-carboxylate is O=C(OCC1CCOCC1)[C@@H]1CC(O)CN1.
What is the InChIKey of oxan-4-ylmethyl (2S)-4-hydroxypyrrolidine-2-carboxylate?
The InChIKey is IHIQUWWYQYICEN-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H19NO4/c13-9-5-10(12-6-9)11(14)16-7-8-1-3-15-4-2-8/h8-10,12-13H,1-7H2/t9?,10-/m0/s1.
What are the key properties of oxan-4-ylmethyl (2S)-4-hydroxypyrrolidine-2-carboxylate?
oxan-4-ylmethyl (2S)-4-hydroxypyrrolidine-2-carboxylate has a molecular weight of 229.28 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-ylmethyl (2S)-4-hydroxypyrrolidine-2-carboxylate is sourced from PubChem (CID 62382168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).