methyl 1-[(5-methylfuran-2-yl)methyl]azetidine-2-carboxylate

C11H15NO3 — CID 112581410

IUPACmethyl 1-[(5-methylfuran-2-yl)methyl]azetidine-2-carboxylate
SMILESCOC(=O)C1CCN1Cc1ccc(C)o1
InChIInChI=1S/C11H15NO3/c1-8-3-4-9(15-8)7-12-6-5-10(12)11(13)14-2/h3-4,10H,5-7H2,1-2H3
InChIKeyYLURNEGNBRUEKA-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.34
Rot. Bonds3

About methyl 1-[(5-methylfuran-2-yl)methyl]azetidine-2-carboxylate

methyl 1-[(5-methylfuran-2-yl)methyl]azetidine-2-carboxylate (PubChem CID 112581410) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is methyl 1-[(5-methylfuran-2-yl)methyl]azetidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(5-methylfuran-2-yl)methyl]azetidine-2-carboxylate
PubChem CID112581410
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Namemethyl 1-[(5-methylfuran-2-yl)methyl]azetidine-2-carboxylate
SMILESCOC(=O)C1CCN1Cc1ccc(C)o1
InChIInChI=1S/C11H15NO3/c1-8-3-4-9(15-8)7-12-6-5-10(12)11(13)14-2/h3-4,10H,5-7H2,1-2H3
InChIKeyYLURNEGNBRUEKA-UHFFFAOYSA-N
XLogP1.34
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-1-benzylazetidine-2-carboxylate
CID 12727480
methyl (2R)-1-benzylazetidine-2-carboxylate
CID 10976617
methyl (2S)-1-(furan-2-ylmethyl)pyrrolidine-2-carboxylate
CID 26343664
N-cyclobutyl-1-[(5-methylfuran-2-yl)methyl]aziridine-2-carboxamide
CID 4677844
4-[(5-methylfuran-2-yl)methyl]thiomorpholine-3-carboxylic acid
CID 82906613
1-[(5-methylfuran-2-yl)methyl]-4-morpholin-4-ylpiperidine-2-carboxylic acid
CID 134072257
N-(1-benzylpiperidin-4-yl)-1-[(5-methylfuran-2-yl)methyl]aziridine-2-carboxamide
CID 3445666
4-hydroxy-1-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 114351529
methyl 1-[(3-ethylthiophen-2-yl)methyl]azetidine-2-carboxylate
CID 112581631
(3aR,5S,7aR)-N-(cyclopropylmethyl)-1-[(5-methylfuran-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide
CID 97380027
(3aR,6aS)-N-cyclopentyl-1-[(5-methylfuran-2-yl)methyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxamide
CID 97459261
[(2S,4R)-4-fluoro-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 120949392

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(5-methylfuran-2-yl)methyl]azetidine-2-carboxylate?
The IUPAC name of methyl 1-[(5-methylfuran-2-yl)methyl]azetidine-2-carboxylate (CID 112581410) is methyl 1-[(5-methylfuran-2-yl)methyl]azetidine-2-carboxylate.
What is the SMILES notation for methyl 1-[(5-methylfuran-2-yl)methyl]azetidine-2-carboxylate?
The canonical SMILES for methyl 1-[(5-methylfuran-2-yl)methyl]azetidine-2-carboxylate is COC(=O)C1CCN1Cc1ccc(C)o1.
What is the InChIKey of methyl 1-[(5-methylfuran-2-yl)methyl]azetidine-2-carboxylate?
The InChIKey is YLURNEGNBRUEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8-3-4-9(15-8)7-12-6-5-10(12)11(13)14-2/h3-4,10H,5-7H2,1-2H3.
What are the key properties of methyl 1-[(5-methylfuran-2-yl)methyl]azetidine-2-carboxylate?
methyl 1-[(5-methylfuran-2-yl)methyl]azetidine-2-carboxylate has a molecular weight of 209.25 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(5-methylfuran-2-yl)methyl]azetidine-2-carboxylate is sourced from PubChem (CID 112581410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).