[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylate

C18H19F3N2O4 — CID 97014679

IUPAC[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylate
SMILESO=C(O[C@@H](C(=O)NC1CC1)c1ccccc1)[C@H]1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C18H19F3N2O4/c19-18(20,21)10-23-9-12(8-14(23)24)17(26)27-15(11-4-2-1-3-5-11)16(25)22-13-6-7-13/h1-5,12-13,15H,6-10H2,(H,22,25)/t12-,15+/m0/s1
InChIKeyBEXGBDQNPNLIGU-SWLSCSKDSA-N
MW384.35 g/mol
LogP1.96
Rot. Bonds6

About [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylate

[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylate (PubChem CID 97014679) has the molecular formula C18H19F3N2O4 and a molecular weight of 384.35 g/mol. Its IUPAC name is [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylate
PubChem CID97014679
Molecular FormulaC18H19F3N2O4
Molecular Weight384.35 g/mol
Exact Mass384.13
IUPAC Name[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylate
SMILESO=C(O[C@@H](C(=O)NC1CC1)c1ccccc1)[C@H]1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C18H19F3N2O4/c19-18(20,21)10-23-9-12(8-14(23)24)17(26)27-15(11-4-2-1-3-5-11)16(25)22-13-6-7-13/h1-5,12-13,15H,6-10H2,(H,22,25)/t12-,15+/m0/s1
InChIKeyBEXGBDQNPNLIGU-SWLSCSKDSA-N
XLogP1.96
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylate with MolForge

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Related Compounds

[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (3R)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate
CID 8602818
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxylate
CID 27720900
4-[[(3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 125148866
4-[[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 125148865
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (1R)-cyclohex-3-ene-1-carboxylate
CID 8639703
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 7579869
5-oxo-N-[(E)-3-phenylprop-2-enyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 75407299
(2S)-N-cyclopropyl-2-methoxy-2-phenylacetamide
CID 958449
5-oxo-N-piperidin-4-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 119389668
(3S)-5-oxo-N-(2-phenylpropan-2-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 95130133
(2R)-2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 119367466
[1-(cyclohexylamino)-1-oxopropan-2-yl] 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 42902301

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylate?
The IUPAC name of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylate (CID 97014679) is [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylate?
The canonical SMILES for [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylate is O=C(O[C@@H](C(=O)NC1CC1)c1ccccc1)[C@H]1CC(=O)N(CC(F)(F)F)C1.
What is the InChIKey of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylate?
The InChIKey is BEXGBDQNPNLIGU-SWLSCSKDSA-N. The full InChI is InChI=1S/C18H19F3N2O4/c19-18(20,21)10-23-9-12(8-14(23)24)17(26)27-15(11-4-2-1-3-5-11)16(25)22-13-6-7-13/h1-5,12-13,15H,6-10H2,(H,22,25)/t12-,15+/m0/s1.
What are the key properties of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylate?
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylate has a molecular weight of 384.35 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 97014679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).