(3R,4S)-1-benzyl-4-[benzyl-[(1S)-1-phenylethyl]amino]pyrrolidin-3-ol

C26H30N2O — CID 16724918

IUPAC(3R,4S)-1-benzyl-4-[benzyl-[(1S)-1-phenylethyl]amino]pyrrolidin-3-ol
SMILESC[C@@H](c1ccccc1)N(Cc1ccccc1)[C@H]1CN(Cc2ccccc2)C[C@H]1O
InChIInChI=1S/C26H30N2O/c1-21(24-15-9-4-10-16-24)28(18-23-13-7-3-8-14-23)25-19-27(20-26(25)29)17-22-11-5-2-6-12-22/h2-16,21,25-26,29H,17-20H2,1H3/t21-,25-,26+/m0/s1
InChIKeyRLCCSEOJERJTRK-OUIFVKKZSA-N
MW386.54 g/mol
LogP4.50
Rot. Bonds7

About (3R,4S)-1-benzyl-4-[benzyl-[(1S)-1-phenylethyl]amino]pyrrolidin-3-ol

(3R,4S)-1-benzyl-4-[benzyl-[(1S)-1-phenylethyl]amino]pyrrolidin-3-ol (PubChem CID 16724918) has the molecular formula C26H30N2O and a molecular weight of 386.54 g/mol. Its IUPAC name is (3R,4S)-1-benzyl-4-[benzyl-[(1S)-1-phenylethyl]amino]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4S)-1-benzyl-4-[benzyl-[(1S)-1-phenylethyl]amino]pyrrolidin-3-ol
PubChem CID16724918
Molecular FormulaC26H30N2O
Molecular Weight386.54 g/mol
Exact Mass386.24
IUPAC Name(3R,4S)-1-benzyl-4-[benzyl-[(1S)-1-phenylethyl]amino]pyrrolidin-3-ol
SMILESC[C@@H](c1ccccc1)N(Cc1ccccc1)[C@H]1CN(Cc2ccccc2)C[C@H]1O
InChIInChI=1S/C26H30N2O/c1-21(24-15-9-4-10-16-24)28(18-23-13-7-3-8-14-23)25-19-27(20-26(25)29)17-22-11-5-2-6-12-22/h2-16,21,25-26,29H,17-20H2,1H3/t21-,25-,26+/m0/s1
InChIKeyRLCCSEOJERJTRK-OUIFVKKZSA-N
XLogP4.50
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4S)-N,1-dibenzyl-4-methyl-N-[(1S)-1-phenylethyl]pyrrolidin-3-amine
CID 16725041
[(1S,2R)-2-[benzyl-[(1R)-1-phenylethyl]amino]cyclopentyl]methanol
CID 141015716
(3S,4R,5R,6S)-1-benzylazepane-3,4,5,6-tetrol
CID 10824756
1-benzylazepane-3,4,5,6-tetrol
CID 18417354
N,1-dibenzyl-N-propan-2-ylpyrrolidin-3-amine
CID 163258237
(4R,5S)-4-[benzyl-[(1S)-1-phenylethyl]amino]-5-phenyloxolan-2-one
CID 24745568
(1R,6S,7R)-7-[benzyl-[(1S)-1-phenylethyl]amino]-6-(hydroxymethyl)cyclohept-3-en-1-ol
CID 132542798
5-[(3S)-3-[benzyl-[(1S)-1-phenylethyl]amino]-4,4-difluoropiperidin-1-yl]pentanoic acid
CID 175260038
1-benzyl-4-ethylpyrrolidin-3-ol
CID 18939335
(3S,4R)-1-benzyl-4-ethylpyrrolidin-3-ol
CID 57045077
(3R,4R)-1-benzyl-5-(difluoromethyl)piperidine-3,4-diol
CID 126703574
1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-3,4-diol
CID 106672877

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-benzyl-4-[benzyl-[(1S)-1-phenylethyl]amino]pyrrolidin-3-ol?
The IUPAC name of (3R,4S)-1-benzyl-4-[benzyl-[(1S)-1-phenylethyl]amino]pyrrolidin-3-ol (CID 16724918) is (3R,4S)-1-benzyl-4-[benzyl-[(1S)-1-phenylethyl]amino]pyrrolidin-3-ol.
What is the SMILES notation for (3R,4S)-1-benzyl-4-[benzyl-[(1S)-1-phenylethyl]amino]pyrrolidin-3-ol?
The canonical SMILES for (3R,4S)-1-benzyl-4-[benzyl-[(1S)-1-phenylethyl]amino]pyrrolidin-3-ol is C[C@@H](c1ccccc1)N(Cc1ccccc1)[C@H]1CN(Cc2ccccc2)C[C@H]1O.
What is the InChIKey of (3R,4S)-1-benzyl-4-[benzyl-[(1S)-1-phenylethyl]amino]pyrrolidin-3-ol?
The InChIKey is RLCCSEOJERJTRK-OUIFVKKZSA-N. The full InChI is InChI=1S/C26H30N2O/c1-21(24-15-9-4-10-16-24)28(18-23-13-7-3-8-14-23)25-19-27(20-26(25)29)17-22-11-5-2-6-12-22/h2-16,21,25-26,29H,17-20H2,1H3/t21-,25-,26+/m0/s1.
What are the key properties of (3R,4S)-1-benzyl-4-[benzyl-[(1S)-1-phenylethyl]amino]pyrrolidin-3-ol?
(3R,4S)-1-benzyl-4-[benzyl-[(1S)-1-phenylethyl]amino]pyrrolidin-3-ol has a molecular weight of 386.54 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-benzyl-4-[benzyl-[(1S)-1-phenylethyl]amino]pyrrolidin-3-ol is sourced from PubChem (CID 16724918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).