(2R)-1-N-[[3-[[(2R)-oxolane-2-carbonyl]amino]phenyl]methyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide

C20H25F3N4O4 — CID 52513638

IUPAC(2R)-1-N-[[3-[[(2R)-oxolane-2-carbonyl]amino]phenyl]methyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide
SMILESO=C(NCC(F)(F)F)[C@H]1CCCN1C(=O)NCc1cccc(NC(=O)[C@H]2CCCO2)c1
InChIInChI=1S/C20H25F3N4O4/c21-20(22,23)12-25-17(28)15-6-2-8-27(15)19(30)24-11-13-4-1-5-14(10-13)26-18(29)16-7-3-9-31-16/h1,4-5,10,15-16H,2-3,6-9,11-12H2,(H,24,30)(H,25,28)(H,26,29)/t15-,16-/m1/s1
InChIKeySDRPZKLEIIAPKG-HZPDHXFCSA-N
MW442.44 g/mol
LogP2.16
Rot. Bonds6

About (2R)-1-N-[[3-[[(2R)-oxolane-2-carbonyl]amino]phenyl]methyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide

(2R)-1-N-[[3-[[(2R)-oxolane-2-carbonyl]amino]phenyl]methyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 52513638) has the molecular formula C20H25F3N4O4 and a molecular weight of 442.44 g/mol. Its IUPAC name is (2R)-1-N-[[3-[[(2R)-oxolane-2-carbonyl]amino]phenyl]methyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R)-1-N-[[3-[[(2R)-oxolane-2-carbonyl]amino]phenyl]methyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide
PubChem CID52513638
Molecular FormulaC20H25F3N4O4
Molecular Weight442.44 g/mol
Exact Mass442.18
IUPAC Name(2R)-1-N-[[3-[[(2R)-oxolane-2-carbonyl]amino]phenyl]methyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide
SMILESO=C(NCC(F)(F)F)[C@H]1CCCN1C(=O)NCc1cccc(NC(=O)[C@H]2CCCO2)c1
InChIInChI=1S/C20H25F3N4O4/c21-20(22,23)12-25-17(28)15-6-2-8-27(15)19(30)24-11-13-4-1-5-14(10-13)26-18(29)16-7-3-9-31-16/h1,4-5,10,15-16H,2-3,6-9,11-12H2,(H,24,30)(H,25,28)(H,26,29)/t15-,16-/m1/s1
InChIKeySDRPZKLEIIAPKG-HZPDHXFCSA-N
XLogP2.16
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.44
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-1-N-[[3-[[(2R)-oxolane-2-carbonyl]amino]phenyl]methyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide with MolForge

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Related Compounds

4-[[3-(oxolane-2-carbonylamino)phenyl]methylcarbamoyl]benzoic acid
CID 119182538
N-[3-[[[N'-methyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]carbamimidoyl]amino]methyl]phenyl]oxolane-2-carboxamide
CID 111914632
N-[3-(methylaminomethyl)phenyl]oxolane-2-carboxamide
CID 43601839
N-[3-[[2-(2,2,2-trifluoroethoxy)propanoylamino]methyl]phenyl]oxolane-2-carboxamide
CID 47898268
N-[3-[[[N-methyl-C-[4-(oxolane-2-carbonyl)piperazin-1-yl]carbonimidoyl]amino]methyl]phenyl]oxolane-2-carboxamide
CID 111301879
N-[3-[[(3-methylphenyl)methylcarbamoylamino]methyl]phenyl]oxolane-2-carboxamide
CID 47758963
N-[3-[[(3-chlorophenyl)carbamoylamino]methyl]phenyl]oxolane-2-carboxamide
CID 60586470
(2S)-N-[[3-[[(2R)-5-oxooxolane-2-carbonyl]amino]phenyl]methyl]-1-[(2S)-2,3,3-trimethylbutanoyl]pyrrolidine-2-carboxamide
CID 163991082
N-[[3-(oxolane-2-carbonylamino)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119752027
N-[3-[[(N,N'-dimethylcarbamimidoyl)amino]methyl]phenyl]oxolane-2-carboxamide
CID 110918378
N-[3-[(4-aminobutanoylamino)methyl]phenyl]oxolane-2-carboxamide;hydrochloride
CID 119305213
N-[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]oxolane-2-carboxamide;hydrochloride
CID 119305205

Frequently Asked Questions

What is the IUPAC name of (2R)-1-N-[[3-[[(2R)-oxolane-2-carbonyl]amino]phenyl]methyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R)-1-N-[[3-[[(2R)-oxolane-2-carbonyl]amino]phenyl]methyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide (CID 52513638) is (2R)-1-N-[[3-[[(2R)-oxolane-2-carbonyl]amino]phenyl]methyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R)-1-N-[[3-[[(2R)-oxolane-2-carbonyl]amino]phenyl]methyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R)-1-N-[[3-[[(2R)-oxolane-2-carbonyl]amino]phenyl]methyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide is O=C(NCC(F)(F)F)[C@H]1CCCN1C(=O)NCc1cccc(NC(=O)[C@H]2CCCO2)c1.
What is the InChIKey of (2R)-1-N-[[3-[[(2R)-oxolane-2-carbonyl]amino]phenyl]methyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is SDRPZKLEIIAPKG-HZPDHXFCSA-N. The full InChI is InChI=1S/C20H25F3N4O4/c21-20(22,23)12-25-17(28)15-6-2-8-27(15)19(30)24-11-13-4-1-5-14(10-13)26-18(29)16-7-3-9-31-16/h1,4-5,10,15-16H,2-3,6-9,11-12H2,(H,24,30)(H,25,28)(H,26,29)/t15-,16-/m1/s1.
What are the key properties of (2R)-1-N-[[3-[[(2R)-oxolane-2-carbonyl]amino]phenyl]methyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide?
(2R)-1-N-[[3-[[(2R)-oxolane-2-carbonyl]amino]phenyl]methyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 442.44 g/mol, XLogP of 2.16, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-N-[[3-[[(2R)-oxolane-2-carbonyl]amino]phenyl]methyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 52513638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).