methyl (3R,4R)-4-(furan-2-yl)pyrrolidine-3-carboxylate

C10H13NO3 — CID 129413863

IUPACmethyl (3R,4R)-4-(furan-2-yl)pyrrolidine-3-carboxylate
SMILESCOC(=O)[C@H]1CNC[C@@H]1c1ccco1
InChIInChI=1S/C10H13NO3/c1-13-10(12)8-6-11-5-7(8)9-3-2-4-14-9/h2-4,7-8,11H,5-6H2,1H3/t7-,8-/m0/s1
InChIKeyJHULDCZLFJCRCK-YUMQZZPRSA-N
MW195.22 g/mol
LogP0.76
Rot. Bonds2

About methyl (3R,4R)-4-(furan-2-yl)pyrrolidine-3-carboxylate

methyl (3R,4R)-4-(furan-2-yl)pyrrolidine-3-carboxylate (PubChem CID 129413863) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is methyl (3R,4R)-4-(furan-2-yl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R,4R)-4-(furan-2-yl)pyrrolidine-3-carboxylate
PubChem CID129413863
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Namemethyl (3R,4R)-4-(furan-2-yl)pyrrolidine-3-carboxylate
SMILESCOC(=O)[C@H]1CNC[C@@H]1c1ccco1
InChIInChI=1S/C10H13NO3/c1-13-10(12)8-6-11-5-7(8)9-3-2-4-14-9/h2-4,7-8,11H,5-6H2,1H3/t7-,8-/m0/s1
InChIKeyJHULDCZLFJCRCK-YUMQZZPRSA-N
XLogP0.76
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(furan-2-yl)pyrrolidine-3-carboxylic acid
CID 53398418
methyl (3R,4S)-4-(5-methylfuran-2-yl)pyrrolidine-3-carboxylate
CID 129413869
methyl (3R,4R)-4-(2-methoxyphenyl)pyrrolidine-3-carboxylate
CID 51441231
methyl 4-(5-methylthiophen-2-yl)pyrrolidine-3-carboxylate
CID 121199335
methyl (3S,4R)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylate;hydrochloride
CID 119056927
methyl (3S,4S)-4-(3-hydroxyphenyl)pyrrolidine-3-carboxylate
CID 129463071
methyl (3R,4S)-4-(3-methylphenyl)pyrrolidine-3-carboxylate
CID 53484902
methyl (3R,4R)-4-(4-ethylphenyl)pyrrolidine-3-carboxylate
CID 129369498
3-(furan-2-yl)-4-methylpiperidine
CID 66271678
methyl (3R,4R)-4-(1,3-benzodioxol-5-yl)pyrrolidine-3-carboxylate
CID 129463108
methyl (1R,6R)-4-amino-6-(furan-2-yl)-2-oxocyclohex-3-ene-1-carboxylate
CID 51970580
methyl 4-(3-methylimidazol-4-yl)pyrrolidine-3-carboxylate
CID 114486601

Frequently Asked Questions

What is the IUPAC name of methyl (3R,4R)-4-(furan-2-yl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl (3R,4R)-4-(furan-2-yl)pyrrolidine-3-carboxylate (CID 129413863) is methyl (3R,4R)-4-(furan-2-yl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl (3R,4R)-4-(furan-2-yl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl (3R,4R)-4-(furan-2-yl)pyrrolidine-3-carboxylate is COC(=O)[C@H]1CNC[C@@H]1c1ccco1.
What is the InChIKey of methyl (3R,4R)-4-(furan-2-yl)pyrrolidine-3-carboxylate?
The InChIKey is JHULDCZLFJCRCK-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H13NO3/c1-13-10(12)8-6-11-5-7(8)9-3-2-4-14-9/h2-4,7-8,11H,5-6H2,1H3/t7-,8-/m0/s1.
What are the key properties of methyl (3R,4R)-4-(furan-2-yl)pyrrolidine-3-carboxylate?
methyl (3R,4R)-4-(furan-2-yl)pyrrolidine-3-carboxylate has a molecular weight of 195.22 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,4R)-4-(furan-2-yl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 129413863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).