methyl (2S)-1-(furan-2-ylmethyl)pyrrolidine-2-carboxylate

C11H15NO3 — CID 26343664

IUPACmethyl (2S)-1-(furan-2-ylmethyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCN1Cc1ccco1
InChIInChI=1S/C11H15NO3/c1-14-11(13)10-5-2-6-12(10)8-9-4-3-7-15-9/h3-4,7,10H,2,5-6,8H2,1H3/t10-/m0/s1
InChIKeySDPWLPVYRUPJTL-JTQLQIEISA-N
MW209.25 g/mol
LogP1.42
Rot. Bonds3

About methyl (2S)-1-(furan-2-ylmethyl)pyrrolidine-2-carboxylate

methyl (2S)-1-(furan-2-ylmethyl)pyrrolidine-2-carboxylate (PubChem CID 26343664) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is methyl (2S)-1-(furan-2-ylmethyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-1-(furan-2-ylmethyl)pyrrolidine-2-carboxylate
PubChem CID26343664
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Namemethyl (2S)-1-(furan-2-ylmethyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCN1Cc1ccco1
InChIInChI=1S/C11H15NO3/c1-14-11(13)10-5-2-6-12(10)8-9-4-3-7-15-9/h3-4,7,10H,2,5-6,8H2,1H3/t10-/m0/s1
InChIKeySDPWLPVYRUPJTL-JTQLQIEISA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 51440981
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
methyl 1-(furan-2-ylmethyl)-4-hydroxypyrrolidine-2-carboxylate
CID 112632882
methyl 1-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate
CID 78915535
methyl 1-[(5-hydroxy-4-oxopyran-2-yl)methyl]pyrrolidine-2-carboxylate
CID 60597208
(2R)-1-(furan-2-ylmethyl)-N-[2-(4-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide
CID 42362496
methyl 1-[[3-(aminomethyl)phenyl]methyl]pyrrolidine-2-carboxylate
CID 63382595
methyl 1-benzylpiperidine-2-carboxylate
CID 10443988
methyl 1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
CID 62026904
methyl (3S,3aR,6aR)-2-(furan-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylate
CID 129429470
methyl (2R)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxylate
CID 37258274
methyl 1-[(5-methylfuran-2-yl)methyl]azetidine-2-carboxylate
CID 112581410

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-1-(furan-2-ylmethyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S)-1-(furan-2-ylmethyl)pyrrolidine-2-carboxylate (CID 26343664) is methyl (2S)-1-(furan-2-ylmethyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S)-1-(furan-2-ylmethyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S)-1-(furan-2-ylmethyl)pyrrolidine-2-carboxylate is COC(=O)[C@@H]1CCCN1Cc1ccco1.
What is the InChIKey of methyl (2S)-1-(furan-2-ylmethyl)pyrrolidine-2-carboxylate?
The InChIKey is SDPWLPVYRUPJTL-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15NO3/c1-14-11(13)10-5-2-6-12(10)8-9-4-3-7-15-9/h3-4,7,10H,2,5-6,8H2,1H3/t10-/m0/s1.
What are the key properties of methyl (2S)-1-(furan-2-ylmethyl)pyrrolidine-2-carboxylate?
methyl (2S)-1-(furan-2-ylmethyl)pyrrolidine-2-carboxylate has a molecular weight of 209.25 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-1-(furan-2-ylmethyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 26343664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).