(3R,4R)-1-[2-[(4-phenylphenyl)methylamino]ethyl]pyrrolidine-3,4-diol

C19H24N2O2 — CID 11358877

IUPAC(3R,4R)-1-[2-[(4-phenylphenyl)methylamino]ethyl]pyrrolidine-3,4-diol
SMILESO[C@@H]1CN(CCNCc2ccc(-c3ccccc3)cc2)C[C@H]1O
InChIInChI=1S/C19H24N2O2/c22-18-13-21(14-19(18)23)11-10-20-12-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-9,18-20,22-23H,10-14H2/t18-,19-/m1/s1
InChIKeyIYYHUCAJGSPVKJ-RTBURBONSA-N
MW312.41 g/mol
LogP1.48
Rot. Bonds6

About (3R,4R)-1-[2-[(4-phenylphenyl)methylamino]ethyl]pyrrolidine-3,4-diol

(3R,4R)-1-[2-[(4-phenylphenyl)methylamino]ethyl]pyrrolidine-3,4-diol (PubChem CID 11358877) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is (3R,4R)-1-[2-[(4-phenylphenyl)methylamino]ethyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(3R,4R)-1-[2-[(4-phenylphenyl)methylamino]ethyl]pyrrolidine-3,4-diol
PubChem CID11358877
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name(3R,4R)-1-[2-[(4-phenylphenyl)methylamino]ethyl]pyrrolidine-3,4-diol
SMILESO[C@@H]1CN(CCNCc2ccc(-c3ccccc3)cc2)C[C@H]1O
InChIInChI=1S/C19H24N2O2/c22-18-13-21(14-19(18)23)11-10-20-12-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-9,18-20,22-23H,10-14H2/t18-,19-/m1/s1
InChIKeyIYYHUCAJGSPVKJ-RTBURBONSA-N
XLogP1.48
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[2-[(4-phenylphenyl)methylamino]ethyl]pyrrolidine-3,4-diol?
The IUPAC name of (3R,4R)-1-[2-[(4-phenylphenyl)methylamino]ethyl]pyrrolidine-3,4-diol (CID 11358877) is (3R,4R)-1-[2-[(4-phenylphenyl)methylamino]ethyl]pyrrolidine-3,4-diol.
What is the SMILES notation for (3R,4R)-1-[2-[(4-phenylphenyl)methylamino]ethyl]pyrrolidine-3,4-diol?
The canonical SMILES for (3R,4R)-1-[2-[(4-phenylphenyl)methylamino]ethyl]pyrrolidine-3,4-diol is O[C@@H]1CN(CCNCc2ccc(-c3ccccc3)cc2)C[C@H]1O.
What is the InChIKey of (3R,4R)-1-[2-[(4-phenylphenyl)methylamino]ethyl]pyrrolidine-3,4-diol?
The InChIKey is IYYHUCAJGSPVKJ-RTBURBONSA-N. The full InChI is InChI=1S/C19H24N2O2/c22-18-13-21(14-19(18)23)11-10-20-12-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-9,18-20,22-23H,10-14H2/t18-,19-/m1/s1.
What are the key properties of (3R,4R)-1-[2-[(4-phenylphenyl)methylamino]ethyl]pyrrolidine-3,4-diol?
(3R,4R)-1-[2-[(4-phenylphenyl)methylamino]ethyl]pyrrolidine-3,4-diol has a molecular weight of 312.41 g/mol, XLogP of 1.48, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[2-[(4-phenylphenyl)methylamino]ethyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 11358877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).