(2R)-N-(dicyclopropylmethyl)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide

C18H26N2O3 — CID 97224407

IUPAC(2R)-N-(dicyclopropylmethyl)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide
SMILESO=C(NC(C1CC1)C1CC1)N1CCC[C@@H]1C[C@H](O)c1ccco1
InChIInChI=1S/C18H26N2O3/c21-15(16-4-2-10-23-16)11-14-3-1-9-20(14)18(22)19-17(12-5-6-12)13-7-8-13/h2,4,10,12-15,17,21H,1,3,5-9,11H2,(H,19,22)/t14-,15+/m1/s1
InChIKeyYMSLNYZLORRJCY-CABCVRRESA-N
MW318.42 g/mol
LogP3.07
Rot. Bonds6

About (2R)-N-(dicyclopropylmethyl)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide

(2R)-N-(dicyclopropylmethyl)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide (PubChem CID 97224407) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is (2R)-N-(dicyclopropylmethyl)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(dicyclopropylmethyl)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide
PubChem CID97224407
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name(2R)-N-(dicyclopropylmethyl)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide
SMILESO=C(NC(C1CC1)C1CC1)N1CCC[C@@H]1C[C@H](O)c1ccco1
InChIInChI=1S/C18H26N2O3/c21-15(16-4-2-10-23-16)11-14-3-1-9-20(14)18(22)19-17(12-5-6-12)13-7-8-13/h2,4,10,12-15,17,21H,1,3,5-9,11H2,(H,19,22)/t14-,15+/m1/s1
InChIKeyYMSLNYZLORRJCY-CABCVRRESA-N
XLogP3.07
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-N-methoxypyrrolidine-1-carboxamide
CID 99718766
(2R)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-N-methoxypyrrolidine-1-carboxamide
CID 99718768
2-[2-(furan-2-yl)-2-hydroxyethyl]-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide
CID 71920200
(2R)-N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide
CID 97320650
tert-butyl (2R)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxylate
CID 97071886
(2R)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide
CID 124591598
2-[2-(furan-2-yl)-2-hydroxyethyl]-N-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 71920253
N-[1-(furan-2-yl)ethyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]morpholine-4-carboxamide
CID 109499701
2-(4-fluorophenoxy)-1-[(2R)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]ethanone
CID 97224650
1-[2-[(2R)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-2-oxoethyl]pyridin-2-one
CID 97240246
N-[1-(furan-2-yl)ethyl]-2-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 86892938
(5-chlorofuran-2-yl)-[(2R)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]methanone
CID 97240265

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(dicyclopropylmethyl)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-(dicyclopropylmethyl)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide (CID 97224407) is (2R)-N-(dicyclopropylmethyl)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-(dicyclopropylmethyl)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-(dicyclopropylmethyl)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide is O=C(NC(C1CC1)C1CC1)N1CCC[C@@H]1C[C@H](O)c1ccco1.
What is the InChIKey of (2R)-N-(dicyclopropylmethyl)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide?
The InChIKey is YMSLNYZLORRJCY-CABCVRRESA-N. The full InChI is InChI=1S/C18H26N2O3/c21-15(16-4-2-10-23-16)11-14-3-1-9-20(14)18(22)19-17(12-5-6-12)13-7-8-13/h2,4,10,12-15,17,21H,1,3,5-9,11H2,(H,19,22)/t14-,15+/m1/s1.
What are the key properties of (2R)-N-(dicyclopropylmethyl)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide?
(2R)-N-(dicyclopropylmethyl)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(dicyclopropylmethyl)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 97224407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).