phosphanyl 1-hydroxypyrrolidine-2-carboxylate

C5H10NO3P — CID 164576898

IUPACphosphanyl 1-hydroxypyrrolidine-2-carboxylate
SMILESO=C(OP)C1CCCN1O
InChIInChI=1S/C5H10NO3P/c7-5(9-10)4-2-1-3-6(4)8/h4,8H,1-3,10H2
InChIKeyKEYXIVGMOAIENB-UHFFFAOYSA-N
MW163.11 g/mol
LogP0.17
Rot. Bonds1

About phosphanyl 1-hydroxypyrrolidine-2-carboxylate

phosphanyl 1-hydroxypyrrolidine-2-carboxylate (PubChem CID 164576898) has the molecular formula C5H10NO3P and a molecular weight of 163.11 g/mol. Its IUPAC name is phosphanyl 1-hydroxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Namephosphanyl 1-hydroxypyrrolidine-2-carboxylate
PubChem CID164576898
Molecular FormulaC5H10NO3P
Molecular Weight163.11 g/mol
Exact Mass163.04
IUPAC Namephosphanyl 1-hydroxypyrrolidine-2-carboxylate
SMILESO=C(OP)C1CCCN1O
InChIInChI=1S/C5H10NO3P/c7-5(9-10)4-2-1-3-6(4)8/h4,8H,1-3,10H2
InChIKeyKEYXIVGMOAIENB-UHFFFAOYSA-N
XLogP0.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.11
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-1-hydroxypyrrolidine-2-carboxylate
CID 11240554
phosphanyl (2S)-1-phosphanylpyrrolidine-2-carboxylate
CID 58840476
tert-butyl 1-hydroxypyrrolidine-2-carboxylate
CID 22666904
phosphanyl 1-(diphosphanyl)pyrrolidine-2-carboxylate
CID 58840440
CID 175713287
CID 175713287
(2S)-1-hydroxypyrrolidine-2-carboxylic acid;hydrate
CID 156642898
azane;1-hydroxypyrrolidine-2-carboxylic acid
CID 138563399
sodium (2S)-1-hydroxypiperidine-2-carboxylate
CID 169441479
hexadecanoyl (2S)-1-hydroxypyrrolidine-2-carboxylate
CID 98048181
2-aminoacetic acid;1-hydroxypyrrolidine-2-carboxylic acid
CID 18326979
(2S)-1-deuteriooxypyrrolidine-2-carboxamide
CID 140857244
2-(1-hydroxypyrrolidine-2-carbonyl)prop-2-enoate
CID 23105046

Frequently Asked Questions

What is the IUPAC name of phosphanyl 1-hydroxypyrrolidine-2-carboxylate?
The IUPAC name of phosphanyl 1-hydroxypyrrolidine-2-carboxylate (CID 164576898) is phosphanyl 1-hydroxypyrrolidine-2-carboxylate.
What is the SMILES notation for phosphanyl 1-hydroxypyrrolidine-2-carboxylate?
The canonical SMILES for phosphanyl 1-hydroxypyrrolidine-2-carboxylate is O=C(OP)C1CCCN1O.
What is the InChIKey of phosphanyl 1-hydroxypyrrolidine-2-carboxylate?
The InChIKey is KEYXIVGMOAIENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10NO3P/c7-5(9-10)4-2-1-3-6(4)8/h4,8H,1-3,10H2.
What are the key properties of phosphanyl 1-hydroxypyrrolidine-2-carboxylate?
phosphanyl 1-hydroxypyrrolidine-2-carboxylate has a molecular weight of 163.11 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phosphanyl 1-hydroxypyrrolidine-2-carboxylate is sourced from PubChem (CID 164576898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).