(4R,5R)-2-but-3-enyl-1-hydroxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidine

C30H35NO4 — CID 135012941

IUPAC(4R,5R)-2-but-3-enyl-1-hydroxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidine
SMILESC=CCCC1C(OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)N1O
InChIInChI=1S/C30H35NO4/c1-2-3-19-27-29(34-21-25-15-9-5-10-16-25)30(35-22-26-17-11-6-12-18-26)28(31(27)32)23-33-20-24-13-7-4-8-14-24/h2,4-18,27-30,32H,1,3,19-23H2/t27?,28-,29?,30-/m1/s1
InChIKeyMOSYVAQUHLFGFV-NJYYWGPDSA-N
MW473.61 g/mol
LogP5.78
Rot. Bonds13

About (4R,5R)-2-but-3-enyl-1-hydroxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidine

(4R,5R)-2-but-3-enyl-1-hydroxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidine (PubChem CID 135012941) has the molecular formula C30H35NO4 and a molecular weight of 473.61 g/mol. Its IUPAC name is (4R,5R)-2-but-3-enyl-1-hydroxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidine.

Molecular Properties

Compound Name(4R,5R)-2-but-3-enyl-1-hydroxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidine
PubChem CID135012941
Molecular FormulaC30H35NO4
Molecular Weight473.61 g/mol
Exact Mass473.26
IUPAC Name(4R,5R)-2-but-3-enyl-1-hydroxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidine
SMILESC=CCCC1C(OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)N1O
InChIInChI=1S/C30H35NO4/c1-2-3-19-27-29(34-21-25-15-9-5-10-16-25)30(35-22-26-17-11-6-12-18-26)28(31(27)32)23-33-20-24-13-7-4-8-14-24/h2,4-18,27-30,32H,1,3,19-23H2/t27?,28-,29?,30-/m1/s1
InChIKeyMOSYVAQUHLFGFV-NJYYWGPDSA-N
XLogP5.78
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.61
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4R,5R)-2-but-3-enyl-1-hydroxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Cyclohexyl-3-(diphenylmethoxy)pyrrolidine
CID 3025360
Indolizine, octahydro-8-methoxy-1,6,7-tris(phenylmethoxy)-, 1S-(1alpha,6beta,7alpha,8beta,8abeta)-
CID 97546065
(2S,3S,4S,5S)-2-[2-(4-fluorophenyl)ethynyl]-1-hydroxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidine
CID 101907720
(2R,3S,4S)-2-ethenyl-1-hydroxy-3,4-bis(phenylmethoxy)pyrrolidine
CID 10592150
(1R,2R,3R,8R)-1,2-bis(phenylmethoxy)-3-(phenylmethoxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 11339728
(2R,3R,4R)-3,4-dibenzyloxy-2-benzyloxymethylpyrrolidine
CID 22842874
3,4-Bis(phenylmethoxy)-2-(phenylmethoxymethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 18426109
1-[(2R,3R,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone
CID 53740243
(2R,3R,4R)-3,4-Dibenzyloxy-2-benzyloxymethyl-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 54509905
(2R,3S,4S)-3-fluoro-1-hydroxy-4-phenylmethoxy-2-(phenylmethoxymethyl)-2-(trifluoromethyl)pyrrolidine
CID 153038233
(2S,3S,4S)-1-hydroxy-3,4-bis(methoxymethoxy)-2-(4-phenylmethoxybutyl)pyrrolidine
CID 10429185
(2S,3S,4S)-2-ethenyl-1-hydroxy-3,4-bis(phenylmethoxy)pyrrolidine
CID 10592149

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-2-but-3-enyl-1-hydroxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidine?
The IUPAC name of (4R,5R)-2-but-3-enyl-1-hydroxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidine (CID 135012941) is (4R,5R)-2-but-3-enyl-1-hydroxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidine.
What is the SMILES notation for (4R,5R)-2-but-3-enyl-1-hydroxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidine?
The canonical SMILES for (4R,5R)-2-but-3-enyl-1-hydroxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidine is C=CCCC1C(OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)N1O.
What is the InChIKey of (4R,5R)-2-but-3-enyl-1-hydroxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidine?
The InChIKey is MOSYVAQUHLFGFV-NJYYWGPDSA-N. The full InChI is InChI=1S/C30H35NO4/c1-2-3-19-27-29(34-21-25-15-9-5-10-16-25)30(35-22-26-17-11-6-12-18-26)28(31(27)32)23-33-20-24-13-7-4-8-14-24/h2,4-18,27-30,32H,1,3,19-23H2/t27?,28-,29?,30-/m1/s1.
What are the key properties of (4R,5R)-2-but-3-enyl-1-hydroxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidine?
(4R,5R)-2-but-3-enyl-1-hydroxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidine has a molecular weight of 473.61 g/mol, XLogP of 5.78, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-2-but-3-enyl-1-hydroxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidine is sourced from PubChem (CID 135012941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).