phosphanyl (2S)-1-phosphanylpyrrolidine-2-carboxylate

C5H11NO2P2 — CID 58840476

IUPACphosphanyl (2S)-1-phosphanylpyrrolidine-2-carboxylate
SMILESO=C(OP)[C@@H]1CCCN1P
InChIInChI=1S/C5H11NO2P2/c7-5(8-10)4-2-1-3-6(4)9/h4H,1-3,9-10H2/t4-/m0/s1
InChIKeyCDADCXYUQIFTJE-BYPYZUCNSA-N
MW179.10 g/mol
LogP0.57
Rot. Bonds1

About phosphanyl (2S)-1-phosphanylpyrrolidine-2-carboxylate

phosphanyl (2S)-1-phosphanylpyrrolidine-2-carboxylate (PubChem CID 58840476) has the molecular formula C5H11NO2P2 and a molecular weight of 179.10 g/mol. Its IUPAC name is phosphanyl (2S)-1-phosphanylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namephosphanyl (2S)-1-phosphanylpyrrolidine-2-carboxylate
PubChem CID58840476
Molecular FormulaC5H11NO2P2
Molecular Weight179.10 g/mol
Exact Mass179.03
IUPAC Namephosphanyl (2S)-1-phosphanylpyrrolidine-2-carboxylate
SMILESO=C(OP)[C@@H]1CCCN1P
InChIInChI=1S/C5H11NO2P2/c7-5(8-10)4-2-1-3-6(4)9/h4H,1-3,9-10H2/t4-/m0/s1
InChIKeyCDADCXYUQIFTJE-BYPYZUCNSA-N
XLogP0.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.10
LogP ≤ 50.57
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 1-(diphosphanyl)pyrrolidine-2-carboxylate
CID 58840440
3-oxo-3-(1-phosphanylpyrrolidin-2-yl)propanenitrile
CID 170212578
methyl 1-methylpyrrolidine-2-carboxylate
CID 529062
methyl (2S)-1-hydroxypyrrolidine-2-carboxylate
CID 11240554
methyl (3S)-2-iodo-1-methyldiazinane-3-carboxylate
CID 142223423
methyl 1-[2-(2-methoxycarbonylpyrrolidin-1-yl)-3,4-dioxocyclobuten-1-yl]pyrrolidine-2-carboxylate
CID 139616358
(2S)-1-deuteriooxypyrrolidine-2-carboxamide
CID 140857244
tert-butyl 1-hydroxypyrrolidine-2-carboxylate
CID 22666904
bromomethyl (2S)-1-[(2S)-2-(bromomethoxycarbonyl)pyrrolidine-1-carbonyl]pyrrolidine-2-carboxylate
CID 174654506
1-chloropyrrolidine-2-carbonyl chloride
CID 174531062
(2S)-1-chloropyrrolidine-2-carboxylic acid
CID 25009763

Frequently Asked Questions

What is the IUPAC name of phosphanyl (2S)-1-phosphanylpyrrolidine-2-carboxylate?
The IUPAC name of phosphanyl (2S)-1-phosphanylpyrrolidine-2-carboxylate (CID 58840476) is phosphanyl (2S)-1-phosphanylpyrrolidine-2-carboxylate.
What is the SMILES notation for phosphanyl (2S)-1-phosphanylpyrrolidine-2-carboxylate?
The canonical SMILES for phosphanyl (2S)-1-phosphanylpyrrolidine-2-carboxylate is O=C(OP)[C@@H]1CCCN1P.
What is the InChIKey of phosphanyl (2S)-1-phosphanylpyrrolidine-2-carboxylate?
The InChIKey is CDADCXYUQIFTJE-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H11NO2P2/c7-5(8-10)4-2-1-3-6(4)9/h4H,1-3,9-10H2/t4-/m0/s1.
What are the key properties of phosphanyl (2S)-1-phosphanylpyrrolidine-2-carboxylate?
phosphanyl (2S)-1-phosphanylpyrrolidine-2-carboxylate has a molecular weight of 179.10 g/mol, XLogP of 0.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phosphanyl (2S)-1-phosphanylpyrrolidine-2-carboxylate is sourced from PubChem (CID 58840476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).