phosphanyl 1-(diphosphanyl)pyrrolidine-2-carboxylate

C5H12NO2P3 — CID 58840440

IUPACphosphanyl 1-(diphosphanyl)pyrrolidine-2-carboxylate
SMILESO=C(OP)C1CCCN1PP
InChIInChI=1S/C5H12NO2P3/c7-5(8-9)4-2-1-3-6(4)11-10/h4,11H,1-3,9-10H2
InChIKeyBJFJOZAFTILMFH-UHFFFAOYSA-N
MW211.08 g/mol
LogP1.17
Rot. Bonds2

About phosphanyl 1-(diphosphanyl)pyrrolidine-2-carboxylate

phosphanyl 1-(diphosphanyl)pyrrolidine-2-carboxylate (PubChem CID 58840440) has the molecular formula C5H12NO2P3 and a molecular weight of 211.08 g/mol. Its IUPAC name is phosphanyl 1-(diphosphanyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namephosphanyl 1-(diphosphanyl)pyrrolidine-2-carboxylate
PubChem CID58840440
Molecular FormulaC5H12NO2P3
Molecular Weight211.08 g/mol
Exact Mass211.01
IUPAC Namephosphanyl 1-(diphosphanyl)pyrrolidine-2-carboxylate
SMILESO=C(OP)C1CCCN1PP
InChIInChI=1S/C5H12NO2P3/c7-5(8-9)4-2-1-3-6(4)11-10/h4,11H,1-3,9-10H2
InChIKeyBJFJOZAFTILMFH-UHFFFAOYSA-N
XLogP1.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.08
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

phosphanyl 1-hydroxypyrrolidine-2-carboxylate
CID 164576898
phosphanyl (2S)-1-phosphanylpyrrolidine-2-carboxylate
CID 58840476
methyl 1-methylpyrrolidine-2-carboxylate
CID 529062
methyl (2S)-1-hydroxypyrrolidine-2-carboxylate
CID 11240554
1-oxidopyrrolidine-2-carboxylic acid
CID 87113946
methyl 1-[2-(2-methoxycarbonylpyrrolidin-1-yl)-3,4-dioxocyclobuten-1-yl]pyrrolidine-2-carboxylate
CID 139616358
phosphanyl-(6-phosphanyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)phosphane
CID 23532227
(2S)-1-deuteriooxypyrrolidine-2-carboxamide
CID 140857244
undecyl 1-acetylpyrrolidine-2-carboxylate
CID 85101195
methyl 1-[2-(aminomethyl)cycloheptyl]pyrrolidine-2-carboxylate
CID 63382875
hexyl (2S)-1-acetylpyrrolidine-2-carboxylate
CID 66695142
bromomethyl (2S)-1-[(2S)-2-(bromomethoxycarbonyl)pyrrolidine-1-carbonyl]pyrrolidine-2-carboxylate
CID 174654506

Frequently Asked Questions

What is the IUPAC name of phosphanyl 1-(diphosphanyl)pyrrolidine-2-carboxylate?
The IUPAC name of phosphanyl 1-(diphosphanyl)pyrrolidine-2-carboxylate (CID 58840440) is phosphanyl 1-(diphosphanyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for phosphanyl 1-(diphosphanyl)pyrrolidine-2-carboxylate?
The canonical SMILES for phosphanyl 1-(diphosphanyl)pyrrolidine-2-carboxylate is O=C(OP)C1CCCN1PP.
What is the InChIKey of phosphanyl 1-(diphosphanyl)pyrrolidine-2-carboxylate?
The InChIKey is BJFJOZAFTILMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NO2P3/c7-5(8-9)4-2-1-3-6(4)11-10/h4,11H,1-3,9-10H2.
What are the key properties of phosphanyl 1-(diphosphanyl)pyrrolidine-2-carboxylate?
phosphanyl 1-(diphosphanyl)pyrrolidine-2-carboxylate has a molecular weight of 211.08 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phosphanyl 1-(diphosphanyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 58840440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).