(3S)-N-[(1S)-1-cyclopropylethyl]-1-(furan-2-ylmethyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

C17H21F3N2O3 — CID 95568416

IUPAC(3S)-N-[(1S)-1-cyclopropylethyl]-1-(furan-2-ylmethyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESC[C@@H](C1CC1)N(CC(F)(F)F)C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C17H21F3N2O3/c1-11(12-4-5-12)22(10-17(18,19)20)16(24)13-7-15(23)21(8-13)9-14-3-2-6-25-14/h2-3,6,11-13H,4-5,7-10H2,1H3/t11-,13-/m0/s1
InChIKeyXULOLZQPEYYCLU-AAEUAGOBSA-N
MW358.36 g/mol
LogP2.82
Rot. Bonds6

About (3S)-N-[(1S)-1-cyclopropylethyl]-1-(furan-2-ylmethyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

(3S)-N-[(1S)-1-cyclopropylethyl]-1-(furan-2-ylmethyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 95568416) has the molecular formula C17H21F3N2O3 and a molecular weight of 358.36 g/mol. Its IUPAC name is (3S)-N-[(1S)-1-cyclopropylethyl]-1-(furan-2-ylmethyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(1S)-1-cyclopropylethyl]-1-(furan-2-ylmethyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID95568416
Molecular FormulaC17H21F3N2O3
Molecular Weight358.36 g/mol
Exact Mass358.15
IUPAC Name(3S)-N-[(1S)-1-cyclopropylethyl]-1-(furan-2-ylmethyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESC[C@@H](C1CC1)N(CC(F)(F)F)C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C17H21F3N2O3/c1-11(12-4-5-12)22(10-17(18,19)20)16(24)13-7-15(23)21(8-13)9-14-3-2-6-25-14/h2-3,6,11-13H,4-5,7-10H2,1H3/t11-,13-/m0/s1
InChIKeyXULOLZQPEYYCLU-AAEUAGOBSA-N
XLogP2.82
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[(1R)-1-cyclopropylethyl]-5-oxo-1-(pyridin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 95349907
1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 50873925
1-(furan-2-ylmethyl)-4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 110023696
1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47099759
methyl (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 42579834
(3S)-1-(furan-2-ylmethyl)-N-[(3-hydroxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 96998484
1-(furan-2-ylmethyl)-5-oxo-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide
CID 51203979
N-ethyl-1-(furan-2-ylmethyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 75807645
(3S)-1-(furan-2-ylmethyl)-N-[(2R)-2-hydroxy-2-methylbutyl]-5-oxopyrrolidine-3-carboxamide
CID 95783239
(3S)-N-ethyl-1-(furan-2-ylmethyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 94014797
N-cyclopentyl-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 47100703
1-(furan-2-ylmethyl)-4-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 55950449

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1S)-1-cyclopropylethyl]-1-(furan-2-ylmethyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[(1S)-1-cyclopropylethyl]-1-(furan-2-ylmethyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 95568416) is (3S)-N-[(1S)-1-cyclopropylethyl]-1-(furan-2-ylmethyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(1S)-1-cyclopropylethyl]-1-(furan-2-ylmethyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(1S)-1-cyclopropylethyl]-1-(furan-2-ylmethyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1.
What is the InChIKey of (3S)-N-[(1S)-1-cyclopropylethyl]-1-(furan-2-ylmethyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is XULOLZQPEYYCLU-AAEUAGOBSA-N. The full InChI is InChI=1S/C17H21F3N2O3/c1-11(12-4-5-12)22(10-17(18,19)20)16(24)13-7-15(23)21(8-13)9-14-3-2-6-25-14/h2-3,6,11-13H,4-5,7-10H2,1H3/t11-,13-/m0/s1.
What are the key properties of (3S)-N-[(1S)-1-cyclopropylethyl]-1-(furan-2-ylmethyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
(3S)-N-[(1S)-1-cyclopropylethyl]-1-(furan-2-ylmethyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 358.36 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1S)-1-cyclopropylethyl]-1-(furan-2-ylmethyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 95568416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).