methyl (2S)-1-[(2-methoxydibenzofuran-3-yl)carbamoyl]pyrrolidine-2-carboxylate

C20H20N2O5 — CID 11874668

IUPACmethyl (2S)-1-[(2-methoxydibenzofuran-3-yl)carbamoyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCN1C(=O)Nc1cc2oc3ccccc3c2cc1OC
InChIInChI=1S/C20H20N2O5/c1-25-18-10-13-12-6-3-4-8-16(12)27-17(13)11-14(18)21-20(24)22-9-5-7-15(22)19(23)26-2/h3-4,6,8,10-11,15H,5,7,9H2,1-2H3,(H,21,24)/t15-/m0/s1
InChIKeyAZFGHQDASOIIGK-HNNXBMFYSA-N
MW368.39 g/mol
LogP3.76
Rot. Bonds3

About methyl (2S)-1-[(2-methoxydibenzofuran-3-yl)carbamoyl]pyrrolidine-2-carboxylate

methyl (2S)-1-[(2-methoxydibenzofuran-3-yl)carbamoyl]pyrrolidine-2-carboxylate (PubChem CID 11874668) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is methyl (2S)-1-[(2-methoxydibenzofuran-3-yl)carbamoyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-1-[(2-methoxydibenzofuran-3-yl)carbamoyl]pyrrolidine-2-carboxylate
PubChem CID11874668
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Namemethyl (2S)-1-[(2-methoxydibenzofuran-3-yl)carbamoyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCN1C(=O)Nc1cc2oc3ccccc3c2cc1OC
InChIInChI=1S/C20H20N2O5/c1-25-18-10-13-12-6-3-4-8-16(12)27-17(13)11-14(18)21-20(24)22-9-5-7-15(22)19(23)26-2/h3-4,6,8,10-11,15H,5,7,9H2,1-2H3,(H,21,24)/t15-/m0/s1
InChIKeyAZFGHQDASOIIGK-HNNXBMFYSA-N
XLogP3.76
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(2-methoxydibenzofuran-3-yl)-2-(1H-pyrazol-5-yl)pyrrolidine-1-carboxamide
CID 100763942
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate
CID 23885019
2-hydroxy-N-(2-methoxydibenzofuran-3-yl)cyclopentane-1-carboxamide
CID 110013791
N-(2-methoxydibenzofuran-3-yl)-2-piperidin-1-ylacetamide
CID 2697422
N-(2-methoxydibenzofuran-3-yl)-2-(3-methylpiperidin-1-yl)acetamide
CID 4824461
N-(2-methoxydibenzofuran-3-yl)-7-methyl-1-oxo-1,4-thiazepane-4-carboxamide
CID 119037539
1-ethyl-3-(2-methoxydibenzofuran-3-yl)urea
CID 86976519
N-(2-methoxydibenzofuran-3-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 2419747
(3S)-N-(2-methoxydibenzofuran-3-yl)-3-(2-methylpropyl)morpholine-4-carboxamide
CID 96546401
(2S)-N-(2-methoxydibenzofuran-3-yl)pyrrolidine-2-carboxamide
CID 25166096
N-(2-methoxydibenzofuran-3-yl)pyrrolidine-2-carboxamide
CID 68603513
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] cyclopropanecarboxylate
CID 2510908

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-1-[(2-methoxydibenzofuran-3-yl)carbamoyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S)-1-[(2-methoxydibenzofuran-3-yl)carbamoyl]pyrrolidine-2-carboxylate (CID 11874668) is methyl (2S)-1-[(2-methoxydibenzofuran-3-yl)carbamoyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S)-1-[(2-methoxydibenzofuran-3-yl)carbamoyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S)-1-[(2-methoxydibenzofuran-3-yl)carbamoyl]pyrrolidine-2-carboxylate is COC(=O)[C@@H]1CCCN1C(=O)Nc1cc2oc3ccccc3c2cc1OC.
What is the InChIKey of methyl (2S)-1-[(2-methoxydibenzofuran-3-yl)carbamoyl]pyrrolidine-2-carboxylate?
The InChIKey is AZFGHQDASOIIGK-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-25-18-10-13-12-6-3-4-8-16(12)27-17(13)11-14(18)21-20(24)22-9-5-7-15(22)19(23)26-2/h3-4,6,8,10-11,15H,5,7,9H2,1-2H3,(H,21,24)/t15-/m0/s1.
What are the key properties of methyl (2S)-1-[(2-methoxydibenzofuran-3-yl)carbamoyl]pyrrolidine-2-carboxylate?
methyl (2S)-1-[(2-methoxydibenzofuran-3-yl)carbamoyl]pyrrolidine-2-carboxylate has a molecular weight of 368.39 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-1-[(2-methoxydibenzofuran-3-yl)carbamoyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 11874668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).