tert-butyl 4-phenylphosphanyl-2-(phenylphosphanylmethyl)pyrrolidine-1-carboxylate

C22H29NO2P2 — CID 59055829

IUPACtert-butyl 4-phenylphosphanyl-2-(phenylphosphanylmethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(Pc2ccccc2)CC1CPc1ccccc1
InChIInChI=1S/C22H29NO2P2/c1-22(2,3)25-21(24)23-15-20(27-19-12-8-5-9-13-19)14-17(23)16-26-18-10-6-4-7-11-18/h4-13,17,20,26-27H,14-16H2,1-3H3
InChIKeySIIRZVDLZAPNHQ-UHFFFAOYSA-N
MW401.43 g/mol
LogP4.37
Rot. Bonds5

About tert-butyl 4-phenylphosphanyl-2-(phenylphosphanylmethyl)pyrrolidine-1-carboxylate

tert-butyl 4-phenylphosphanyl-2-(phenylphosphanylmethyl)pyrrolidine-1-carboxylate (PubChem CID 59055829) has the molecular formula C22H29NO2P2 and a molecular weight of 401.43 g/mol. Its IUPAC name is tert-butyl 4-phenylphosphanyl-2-(phenylphosphanylmethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-phenylphosphanyl-2-(phenylphosphanylmethyl)pyrrolidine-1-carboxylate
PubChem CID59055829
Molecular FormulaC22H29NO2P2
Molecular Weight401.43 g/mol
Exact Mass401.17
IUPAC Nametert-butyl 4-phenylphosphanyl-2-(phenylphosphanylmethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(Pc2ccccc2)CC1CPc1ccccc1
InChIInChI=1S/C22H29NO2P2/c1-22(2,3)25-21(24)23-15-20(27-19-12-8-5-9-13-19)14-17(23)16-26-18-10-6-4-7-11-18/h4-13,17,20,26-27H,14-16H2,1-3H3
InChIKeySIIRZVDLZAPNHQ-UHFFFAOYSA-N
XLogP4.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 54.37
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

(2S,4S)-(-)-N-BOC-4-Diphenylphosphino-2-diphenylphosphinomethyl-pyrrolidine
CID 10209545
tert-Butyl (S)-2-((diphenylphosphanyl)methyl)pyrrolidine-1-carboxylate
CID 15083816
tert-butyl (2S)-2-[bis(2-methylphenyl)phosphanylmethyl]pyrrolidine-1-carboxylate
CID 135000059
Tert-butyl 4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidine-1-carboxylate
CID 4428041
(2S,4S)-2-(Diphenylphosphinomethyl)-4-(dicyclohexylphosphino)-N-(t-butoxycarbonyl)pyrrolidine
CID 11731422
tert-butyl (2S,4S)-4-bis(3-methylphenyl)phosphanyl-2-[bis(3-methylphenyl)phosphanylmethyl]pyrrolidine-1-carboxylate
CID 18607034
Ethyl 4-diphenylphosphanyl-2-[(diphenylphosphanyl)-methyl]-pyrrolidine-1-carboxylate
CID 88907993
1-[(2S)-2-[(Diphenylphosphino)methyl]-1-pyrrolidinyl]-2,2-dimethyl-1-propanone
CID 10981083
Tert-butyl 2-[methyl(diphenyl)silyl]pyrrolidine-1-carboxylate
CID 75153095
Tert-butyl 2,4-bis(diphenylphosphanyl)pyrrolidine-1-carboxylate
CID 85298166
tert-butyl (2S)-2-(diphenylphosphanylmethyl)-2,5-dihydropyrrole-1-carboxylate
CID 132566679
CID 134952958
CID 134952958

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-phenylphosphanyl-2-(phenylphosphanylmethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 4-phenylphosphanyl-2-(phenylphosphanylmethyl)pyrrolidine-1-carboxylate (CID 59055829) is tert-butyl 4-phenylphosphanyl-2-(phenylphosphanylmethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-phenylphosphanyl-2-(phenylphosphanylmethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-phenylphosphanyl-2-(phenylphosphanylmethyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(Pc2ccccc2)CC1CPc1ccccc1.
What is the InChIKey of tert-butyl 4-phenylphosphanyl-2-(phenylphosphanylmethyl)pyrrolidine-1-carboxylate?
The InChIKey is SIIRZVDLZAPNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2P2/c1-22(2,3)25-21(24)23-15-20(27-19-12-8-5-9-13-19)14-17(23)16-26-18-10-6-4-7-11-18/h4-13,17,20,26-27H,14-16H2,1-3H3.
What are the key properties of tert-butyl 4-phenylphosphanyl-2-(phenylphosphanylmethyl)pyrrolidine-1-carboxylate?
tert-butyl 4-phenylphosphanyl-2-(phenylphosphanylmethyl)pyrrolidine-1-carboxylate has a molecular weight of 401.43 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-phenylphosphanyl-2-(phenylphosphanylmethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 59055829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).