[2-[1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]-3-methylcyclopentyl]-diphenylphosphane

C26H36NOP — CID 162269645

IUPAC[2-[1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]-3-methylcyclopentyl]-diphenylphosphane
SMILESCOC[C@@H]1CCCN1C(C)C1C(C)CCC1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H36NOP/c1-20-16-17-25(26(20)21(2)27-18-10-11-22(27)19-28-3)29(23-12-6-4-7-13-23)24-14-8-5-9-15-24/h4-9,12-15,20-22,25-26H,10-11,16-19H2,1-3H3/t20?,21?,22-,25?,26?/m0/s1
InChIKeyIMQRJXCTOHJZLT-RDXMFEELSA-N
MW409.55 g/mol
LogP5.03
Rot. Bonds7

About [2-[1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]-3-methylcyclopentyl]-diphenylphosphane

[2-[1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]-3-methylcyclopentyl]-diphenylphosphane (PubChem CID 162269645) has the molecular formula C26H36NOP and a molecular weight of 409.55 g/mol. Its IUPAC name is [2-[1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]-3-methylcyclopentyl]-diphenylphosphane.

Molecular Properties

Compound Name[2-[1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]-3-methylcyclopentyl]-diphenylphosphane
PubChem CID162269645
Molecular FormulaC26H36NOP
Molecular Weight409.55 g/mol
Exact Mass409.25
IUPAC Name[2-[1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]-3-methylcyclopentyl]-diphenylphosphane
SMILESCOC[C@@H]1CCCN1C(C)C1C(C)CCC1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H36NOP/c1-20-16-17-25(26(20)21(2)27-18-10-11-22(27)19-28-3)29(23-12-6-4-7-13-23)24-14-8-5-9-15-24/h4-9,12-15,20-22,25-26H,10-11,16-19H2,1-3H3/t20?,21?,22-,25?,26?/m0/s1
InChIKeyIMQRJXCTOHJZLT-RDXMFEELSA-N
XLogP5.03
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.55
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-[(1S)-1-[2-(methoxymethyl)pyrrolidin-1-yl]ethyl]cyclopentyl]-diphenylphosphane
CID 58160428
(2R)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylacetic acid
CID 11172721
(2S)-2-[methoxy(diphenyl)methyl]-1-propan-2-ylpyrrolidine;(2S)-2-(methoxymethyl)-1-propan-2-ylpyrrolidine
CID 160513708
CID 58903834
CID 58903834
[5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopenta-1,3-dien-1-yl]-diphenylphosphane
CID 70940383
(2S)-2-(methoxymethyl)-N-[(2R)-4-phenylbutan-2-yl]pyrrolidin-1-amine
CID 135000070
(2S)-2-(methoxymethyl)-1-[(1E)-4-methyl-1-phenylpenta-1,3-dien-3-yl]pyrrolidine
CID 11000172
(2S)-2-(methoxymethyl)-N-[(3R)-4-methyl-1-phenylpentan-3-yl]pyrrolidin-1-amine
CID 135001015
[(1R,2R)-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide
CID 87106744
(2R)-1-(1,3-diphenylprop-2-ynyl)-2-(methoxymethyl)piperidine
CID 25150487
[(1R,2R)-3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide
CID 87107130
2-(methoxymethyl)-N-phenylpyrrolidin-1-amine
CID 91183641

Frequently Asked Questions

What is the IUPAC name of [2-[1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]-3-methylcyclopentyl]-diphenylphosphane?
The IUPAC name of [2-[1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]-3-methylcyclopentyl]-diphenylphosphane (CID 162269645) is [2-[1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]-3-methylcyclopentyl]-diphenylphosphane.
What is the SMILES notation for [2-[1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]-3-methylcyclopentyl]-diphenylphosphane?
The canonical SMILES for [2-[1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]-3-methylcyclopentyl]-diphenylphosphane is COC[C@@H]1CCCN1C(C)C1C(C)CCC1P(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-[1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]-3-methylcyclopentyl]-diphenylphosphane?
The InChIKey is IMQRJXCTOHJZLT-RDXMFEELSA-N. The full InChI is InChI=1S/C26H36NOP/c1-20-16-17-25(26(20)21(2)27-18-10-11-22(27)19-28-3)29(23-12-6-4-7-13-23)24-14-8-5-9-15-24/h4-9,12-15,20-22,25-26H,10-11,16-19H2,1-3H3/t20?,21?,22-,25?,26?/m0/s1.
What are the key properties of [2-[1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]-3-methylcyclopentyl]-diphenylphosphane?
[2-[1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]-3-methylcyclopentyl]-diphenylphosphane has a molecular weight of 409.55 g/mol, XLogP of 5.03, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]-3-methylcyclopentyl]-diphenylphosphane is sourced from PubChem (CID 162269645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).