(2R)-N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide

C19H29N3O3 — CID 97320650

IUPAC(2R)-N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide
SMILESO=C(NC[C@@H]1CCN(C2CC2)C1)N1CCC[C@@H]1C[C@@H](O)c1ccco1
InChIInChI=1S/C19H29N3O3/c23-17(18-4-2-10-25-18)11-16-3-1-8-22(16)19(24)20-12-14-7-9-21(13-14)15-5-6-15/h2,4,10,14-17,23H,1,3,5-9,11-13H2,(H,20,24)/t14-,16+,17+/m0/s1
InChIKeyCLGWHLXOWPDDDL-USXIJHARSA-N
MW347.46 g/mol
LogP2.36
Rot. Bonds6

About (2R)-N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide

(2R)-N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide (PubChem CID 97320650) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is (2R)-N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide
PubChem CID97320650
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name(2R)-N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide
SMILESO=C(NC[C@@H]1CCN(C2CC2)C1)N1CCC[C@@H]1C[C@@H](O)c1ccco1
InChIInChI=1S/C19H29N3O3/c23-17(18-4-2-10-25-18)11-16-3-1-8-22(16)19(24)20-12-14-7-9-21(13-14)15-5-6-15/h2,4,10,14-17,23H,1,3,5-9,11-13H2,(H,20,24)/t14-,16+,17+/m0/s1
InChIKeyCLGWHLXOWPDDDL-USXIJHARSA-N
XLogP2.36
TPSA68.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-(dicyclopropylmethyl)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide
CID 97224407
(2S)-N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-2-(furan-2-yl)azepane-1-carboxamide
CID 97078797
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-(furan-2-yl)azepane-1-carboxamide
CID 71930413
(2R)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide
CID 124591598
tert-butyl (2R)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxylate
CID 97071886
1-cyclopentyl-3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-1-(furan-2-ylmethyl)urea
CID 97078813
2-[2-(furan-2-yl)-2-hydroxyethyl]-N-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 71920253
1-[2-[(2R)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-2-oxoethyl]pyridin-2-one
CID 97240246
(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-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide (CID 97320650) is (2R)-N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide is O=C(NC[C@@H]1CCN(C2CC2)C1)N1CCC[C@@H]1C[C@@H](O)c1ccco1.
What is the InChIKey of (2R)-N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide?
The InChIKey is CLGWHLXOWPDDDL-USXIJHARSA-N. The full InChI is InChI=1S/C19H29N3O3/c23-17(18-4-2-10-25-18)11-16-3-1-8-22(16)19(24)20-12-14-7-9-21(13-14)15-5-6-15/h2,4,10,14-17,23H,1,3,5-9,11-13H2,(H,20,24)/t14-,16+,17+/m0/s1.
What are the key properties of (2R)-N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide?
(2R)-N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 97320650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).