3-[2,5-dioxo-3-[2-oxo-2-(phosphanylamino)ethyl]sulfanylpyrrolidin-1-yl]-N-[2-(2-methoxyethoxy)ethyl]propanamide

C14H24N3O6PS — CID 20720037

IUPAC3-[2,5-dioxo-3-[2-oxo-2-(phosphanylamino)ethyl]sulfanylpyrrolidin-1-yl]-N-[2-(2-methoxyethoxy)ethyl]propanamide
SMILESCOCCOCCNC(=O)CCN1C(=O)CC(SCC(=O)NP)C1=O
InChIInChI=1S/C14H24N3O6PS/c1-22-6-7-23-5-3-15-11(18)2-4-17-13(20)8-10(14(17)21)25-9-12(19)16-24/h10H,2-9,24H2,1H3,(H,15,18)(H,16,19)
InChIKeyAUCYDOMCVKVCSJ-UHFFFAOYSA-N
MW393.40 g/mol
LogP-1.08
Rot. Bonds12

About 3-[2,5-dioxo-3-[2-oxo-2-(phosphanylamino)ethyl]sulfanylpyrrolidin-1-yl]-N-[2-(2-methoxyethoxy)ethyl]propanamide

3-[2,5-dioxo-3-[2-oxo-2-(phosphanylamino)ethyl]sulfanylpyrrolidin-1-yl]-N-[2-(2-methoxyethoxy)ethyl]propanamide (PubChem CID 20720037) has the molecular formula C14H24N3O6PS and a molecular weight of 393.40 g/mol. Its IUPAC name is 3-[2,5-dioxo-3-[2-oxo-2-(phosphanylamino)ethyl]sulfanylpyrrolidin-1-yl]-N-[2-(2-methoxyethoxy)ethyl]propanamide.

Molecular Properties

Compound Name3-[2,5-dioxo-3-[2-oxo-2-(phosphanylamino)ethyl]sulfanylpyrrolidin-1-yl]-N-[2-(2-methoxyethoxy)ethyl]propanamide
PubChem CID20720037
Molecular FormulaC14H24N3O6PS
Molecular Weight393.40 g/mol
Exact Mass393.11
IUPAC Name3-[2,5-dioxo-3-[2-oxo-2-(phosphanylamino)ethyl]sulfanylpyrrolidin-1-yl]-N-[2-(2-methoxyethoxy)ethyl]propanamide
SMILESCOCCOCCNC(=O)CCN1C(=O)CC(SCC(=O)NP)C1=O
InChIInChI=1S/C14H24N3O6PS/c1-22-6-7-23-5-3-15-11(18)2-4-17-13(20)8-10(14(17)21)25-9-12(19)16-24/h10H,2-9,24H2,1H3,(H,15,18)(H,16,19)
InChIKeyAUCYDOMCVKVCSJ-UHFFFAOYSA-N
XLogP-1.08
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2,5-dioxo-3-[2-oxo-2-(phosphanylamino)ethyl]sulfanylpyrrolidin-1-yl]-N-[2-(2-methoxyethoxy)ethyl]propanamide?
The IUPAC name of 3-[2,5-dioxo-3-[2-oxo-2-(phosphanylamino)ethyl]sulfanylpyrrolidin-1-yl]-N-[2-(2-methoxyethoxy)ethyl]propanamide (CID 20720037) is 3-[2,5-dioxo-3-[2-oxo-2-(phosphanylamino)ethyl]sulfanylpyrrolidin-1-yl]-N-[2-(2-methoxyethoxy)ethyl]propanamide.
What is the SMILES notation for 3-[2,5-dioxo-3-[2-oxo-2-(phosphanylamino)ethyl]sulfanylpyrrolidin-1-yl]-N-[2-(2-methoxyethoxy)ethyl]propanamide?
The canonical SMILES for 3-[2,5-dioxo-3-[2-oxo-2-(phosphanylamino)ethyl]sulfanylpyrrolidin-1-yl]-N-[2-(2-methoxyethoxy)ethyl]propanamide is COCCOCCNC(=O)CCN1C(=O)CC(SCC(=O)NP)C1=O.
What is the InChIKey of 3-[2,5-dioxo-3-[2-oxo-2-(phosphanylamino)ethyl]sulfanylpyrrolidin-1-yl]-N-[2-(2-methoxyethoxy)ethyl]propanamide?
The InChIKey is AUCYDOMCVKVCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N3O6PS/c1-22-6-7-23-5-3-15-11(18)2-4-17-13(20)8-10(14(17)21)25-9-12(19)16-24/h10H,2-9,24H2,1H3,(H,15,18)(H,16,19).
What are the key properties of 3-[2,5-dioxo-3-[2-oxo-2-(phosphanylamino)ethyl]sulfanylpyrrolidin-1-yl]-N-[2-(2-methoxyethoxy)ethyl]propanamide?
3-[2,5-dioxo-3-[2-oxo-2-(phosphanylamino)ethyl]sulfanylpyrrolidin-1-yl]-N-[2-(2-methoxyethoxy)ethyl]propanamide has a molecular weight of 393.40 g/mol, XLogP of -1.08, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,5-dioxo-3-[2-oxo-2-(phosphanylamino)ethyl]sulfanylpyrrolidin-1-yl]-N-[2-(2-methoxyethoxy)ethyl]propanamide is sourced from PubChem (CID 20720037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).