[2-[ethoxy(2-phenylethyl)phosphoryl]acetyl] (2R)-2-hydroxypyrrolidine-2-carboxylate

C17H24NO6P — CID 88700310

IUPAC[2-[ethoxy(2-phenylethyl)phosphoryl]acetyl] (2R)-2-hydroxypyrrolidine-2-carboxylate
SMILESCCOP(=O)(CCc1ccccc1)CC(=O)OC(=O)[C@]1(O)CCCN1
InChIInChI=1S/C17H24NO6P/c1-2-23-25(22,12-9-14-7-4-3-5-8-14)13-15(19)24-16(20)17(21)10-6-11-18-17/h3-5,7-8,18,21H,2,6,9-13H2,1H3/t17-,25?/m1/s1
InChIKeyIPGAJUHKWQXJOM-SMFUYQKNSA-N
MW369.35 g/mol
LogP1.69
Rot. Bonds8

About [2-[ethoxy(2-phenylethyl)phosphoryl]acetyl] (2R)-2-hydroxypyrrolidine-2-carboxylate

[2-[ethoxy(2-phenylethyl)phosphoryl]acetyl] (2R)-2-hydroxypyrrolidine-2-carboxylate (PubChem CID 88700310) has the molecular formula C17H24NO6P and a molecular weight of 369.35 g/mol. Its IUPAC name is [2-[ethoxy(2-phenylethyl)phosphoryl]acetyl] (2R)-2-hydroxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Name[2-[ethoxy(2-phenylethyl)phosphoryl]acetyl] (2R)-2-hydroxypyrrolidine-2-carboxylate
PubChem CID88700310
Molecular FormulaC17H24NO6P
Molecular Weight369.35 g/mol
Exact Mass369.13
IUPAC Name[2-[ethoxy(2-phenylethyl)phosphoryl]acetyl] (2R)-2-hydroxypyrrolidine-2-carboxylate
SMILESCCOP(=O)(CCc1ccccc1)CC(=O)OC(=O)[C@]1(O)CCCN1
InChIInChI=1S/C17H24NO6P/c1-2-23-25(22,12-9-14-7-4-3-5-8-14)13-15(19)24-16(20)17(21)10-6-11-18-17/h3-5,7-8,18,21H,2,6,9-13H2,1H3/t17-,25?/m1/s1
InChIKeyIPGAJUHKWQXJOM-SMFUYQKNSA-N
XLogP1.69
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[ethoxy(2-phenylethyl)phosphoryl]acetyl] (2R)-2-hydroxypyrrolidine-2-carboxylate?
The IUPAC name of [2-[ethoxy(2-phenylethyl)phosphoryl]acetyl] (2R)-2-hydroxypyrrolidine-2-carboxylate (CID 88700310) is [2-[ethoxy(2-phenylethyl)phosphoryl]acetyl] (2R)-2-hydroxypyrrolidine-2-carboxylate.
What is the SMILES notation for [2-[ethoxy(2-phenylethyl)phosphoryl]acetyl] (2R)-2-hydroxypyrrolidine-2-carboxylate?
The canonical SMILES for [2-[ethoxy(2-phenylethyl)phosphoryl]acetyl] (2R)-2-hydroxypyrrolidine-2-carboxylate is CCOP(=O)(CCc1ccccc1)CC(=O)OC(=O)[C@]1(O)CCCN1.
What is the InChIKey of [2-[ethoxy(2-phenylethyl)phosphoryl]acetyl] (2R)-2-hydroxypyrrolidine-2-carboxylate?
The InChIKey is IPGAJUHKWQXJOM-SMFUYQKNSA-N. The full InChI is InChI=1S/C17H24NO6P/c1-2-23-25(22,12-9-14-7-4-3-5-8-14)13-15(19)24-16(20)17(21)10-6-11-18-17/h3-5,7-8,18,21H,2,6,9-13H2,1H3/t17-,25?/m1/s1.
What are the key properties of [2-[ethoxy(2-phenylethyl)phosphoryl]acetyl] (2R)-2-hydroxypyrrolidine-2-carboxylate?
[2-[ethoxy(2-phenylethyl)phosphoryl]acetyl] (2R)-2-hydroxypyrrolidine-2-carboxylate has a molecular weight of 369.35 g/mol, XLogP of 1.69, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[ethoxy(2-phenylethyl)phosphoryl]acetyl] (2R)-2-hydroxypyrrolidine-2-carboxylate is sourced from PubChem (CID 88700310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).