phenyl-[(3R)-3-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]pyrrolidin-1-yl]methanone

C19H28N2O2 — CID 97323716

IUPACphenyl-[(3R)-3-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]pyrrolidin-1-yl]methanone
SMILESCC1(C)C[C@@H](N[C@@H]2CCN(C(=O)c3ccccc3)C2)C(C)(C)O1
InChIInChI=1S/C19H28N2O2/c1-18(2)12-16(19(3,4)23-18)20-15-10-11-21(13-15)17(22)14-8-6-5-7-9-14/h5-9,15-16,20H,10-13H2,1-4H3/t15-,16-/m1/s1
InChIKeyGFXXSEUXFHCSLY-HZPDHXFCSA-N
MW316.44 g/mol
LogP2.84
Rot. Bonds3

About phenyl-[(3R)-3-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]pyrrolidin-1-yl]methanone

phenyl-[(3R)-3-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]pyrrolidin-1-yl]methanone (PubChem CID 97323716) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is phenyl-[(3R)-3-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[(3R)-3-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]pyrrolidin-1-yl]methanone
PubChem CID97323716
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Namephenyl-[(3R)-3-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]pyrrolidin-1-yl]methanone
SMILESCC1(C)C[C@@H](N[C@@H]2CCN(C(=O)c3ccccc3)C2)C(C)(C)O1
InChIInChI=1S/C19H28N2O2/c1-18(2)12-16(19(3,4)23-18)20-15-10-11-21(13-15)17(22)14-8-6-5-7-9-14/h5-9,15-16,20H,10-13H2,1-4H3/t15-,16-/m1/s1
InChIKeyGFXXSEUXFHCSLY-HZPDHXFCSA-N
XLogP2.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl-[(3R)-3-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]pyrrolidin-1-yl]methanone?
The IUPAC name of phenyl-[(3R)-3-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]pyrrolidin-1-yl]methanone (CID 97323716) is phenyl-[(3R)-3-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]pyrrolidin-1-yl]methanone.
What is the SMILES notation for phenyl-[(3R)-3-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]pyrrolidin-1-yl]methanone?
The canonical SMILES for phenyl-[(3R)-3-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]pyrrolidin-1-yl]methanone is CC1(C)C[C@@H](N[C@@H]2CCN(C(=O)c3ccccc3)C2)C(C)(C)O1.
What is the InChIKey of phenyl-[(3R)-3-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]pyrrolidin-1-yl]methanone?
The InChIKey is GFXXSEUXFHCSLY-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-18(2)12-16(19(3,4)23-18)20-15-10-11-21(13-15)17(22)14-8-6-5-7-9-14/h5-9,15-16,20H,10-13H2,1-4H3/t15-,16-/m1/s1.
What are the key properties of phenyl-[(3R)-3-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]pyrrolidin-1-yl]methanone?
phenyl-[(3R)-3-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]pyrrolidin-1-yl]methanone has a molecular weight of 316.44 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[(3R)-3-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 97323716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).