methyl 1-(furan-2-ylmethyl)-4-hydroxypyrrolidine-2-carboxylate

C11H15NO4 — CID 112632882

IUPACmethyl 1-(furan-2-ylmethyl)-4-hydroxypyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1Cc1ccco1
InChIInChI=1S/C11H15NO4/c1-15-11(14)10-5-8(13)6-12(10)7-9-3-2-4-16-9/h2-4,8,10,13H,5-7H2,1H3
InChIKeyULSJLAMENAQZHV-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.39
Rot. Bonds3

About methyl 1-(furan-2-ylmethyl)-4-hydroxypyrrolidine-2-carboxylate

methyl 1-(furan-2-ylmethyl)-4-hydroxypyrrolidine-2-carboxylate (PubChem CID 112632882) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is methyl 1-(furan-2-ylmethyl)-4-hydroxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(furan-2-ylmethyl)-4-hydroxypyrrolidine-2-carboxylate
PubChem CID112632882
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Namemethyl 1-(furan-2-ylmethyl)-4-hydroxypyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1Cc1ccco1
InChIInChI=1S/C11H15NO4/c1-15-11(14)10-5-8(13)6-12(10)7-9-3-2-4-16-9/h2-4,8,10,13H,5-7H2,1H3
InChIKeyULSJLAMENAQZHV-UHFFFAOYSA-N
XLogP0.39
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-1-(furan-2-ylmethyl)pyrrolidine-2-carboxylate
CID 26343664
methyl 1-[(2-chlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxylate
CID 112632963
methyl (2S,4S)-4-hydroxy-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxylate
CID 103886932
methyl 4-hydroxy-1-[(5-hydroxy-4-oxopyran-2-yl)methyl]pyrrolidine-2-carboxylate
CID 112632942
methyl (2S,4R)-1-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-hydroxypyrrolidine-2-carboxylate
CID 56805035
methyl (2S,4S)-1-(furan-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylate
CID 1480349
methyl (2R,4S)-1-(1-benzofuran-3-ylmethyl)-4-hydroxypyrrolidine-2-carboxylate
CID 99858645
methyl (2R,4S)-1-[[5-(2,6-difluorophenyl)furan-2-yl]methyl]-4-hydroxypyrrolidine-2-carboxylate
CID 99779031
methyl (2R,4R)-4-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxylate
CID 134263030
methyl 4-hydroxy-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylate
CID 112632795
methyl (2S,4S)-1-[(5-chlorothiophen-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxylate
CID 71850550
4-[(4-hydroxy-2-methoxycarbonylpyrrolidin-1-yl)methyl]benzoic acid
CID 115971503

Frequently Asked Questions

What is the IUPAC name of methyl 1-(furan-2-ylmethyl)-4-hydroxypyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(furan-2-ylmethyl)-4-hydroxypyrrolidine-2-carboxylate (CID 112632882) is methyl 1-(furan-2-ylmethyl)-4-hydroxypyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(furan-2-ylmethyl)-4-hydroxypyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(furan-2-ylmethyl)-4-hydroxypyrrolidine-2-carboxylate is COC(=O)C1CC(O)CN1Cc1ccco1.
What is the InChIKey of methyl 1-(furan-2-ylmethyl)-4-hydroxypyrrolidine-2-carboxylate?
The InChIKey is ULSJLAMENAQZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-15-11(14)10-5-8(13)6-12(10)7-9-3-2-4-16-9/h2-4,8,10,13H,5-7H2,1H3.
What are the key properties of methyl 1-(furan-2-ylmethyl)-4-hydroxypyrrolidine-2-carboxylate?
methyl 1-(furan-2-ylmethyl)-4-hydroxypyrrolidine-2-carboxylate has a molecular weight of 225.24 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(furan-2-ylmethyl)-4-hydroxypyrrolidine-2-carboxylate is sourced from PubChem (CID 112632882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).