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

C14H24N3O5PS — CID 58785855

IUPAC3-[2,5-dioxo-3-[2-oxo-2-(phosphanylamino)ethyl]sulfanylpyrrolidin-1-yl]-N-(2-propoxyethyl)propanamide
SMILESCCCOCCNC(=O)CCN1C(=O)CC(SCC(=O)NP)C1=O
InChIInChI=1S/C14H24N3O5PS/c1-2-6-22-7-4-15-11(18)3-5-17-13(20)8-10(14(17)21)24-9-12(19)16-23/h10H,2-9,23H2,1H3,(H,15,18)(H,16,19)
InChIKeyFMGOOPJAOYTSAO-UHFFFAOYSA-N
MW377.40 g/mol
LogP-0.31
Rot. Bonds11

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

3-[2,5-dioxo-3-[2-oxo-2-(phosphanylamino)ethyl]sulfanylpyrrolidin-1-yl]-N-(2-propoxyethyl)propanamide (PubChem CID 58785855) has the molecular formula C14H24N3O5PS and a molecular weight of 377.40 g/mol. Its IUPAC name is 3-[2,5-dioxo-3-[2-oxo-2-(phosphanylamino)ethyl]sulfanylpyrrolidin-1-yl]-N-(2-propoxyethyl)propanamide.

Molecular Properties

Compound Name3-[2,5-dioxo-3-[2-oxo-2-(phosphanylamino)ethyl]sulfanylpyrrolidin-1-yl]-N-(2-propoxyethyl)propanamide
PubChem CID58785855
Molecular FormulaC14H24N3O5PS
Molecular Weight377.40 g/mol
Exact Mass377.12
IUPAC Name3-[2,5-dioxo-3-[2-oxo-2-(phosphanylamino)ethyl]sulfanylpyrrolidin-1-yl]-N-(2-propoxyethyl)propanamide
SMILESCCCOCCNC(=O)CCN1C(=O)CC(SCC(=O)NP)C1=O
InChIInChI=1S/C14H24N3O5PS/c1-2-6-22-7-4-15-11(18)3-5-17-13(20)8-10(14(17)21)24-9-12(19)16-23/h10H,2-9,23H2,1H3,(H,15,18)(H,16,19)
InChIKeyFMGOOPJAOYTSAO-UHFFFAOYSA-N
XLogP-0.31
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-propoxyethyl)propanamide?
The IUPAC name of 3-[2,5-dioxo-3-[2-oxo-2-(phosphanylamino)ethyl]sulfanylpyrrolidin-1-yl]-N-(2-propoxyethyl)propanamide (CID 58785855) is 3-[2,5-dioxo-3-[2-oxo-2-(phosphanylamino)ethyl]sulfanylpyrrolidin-1-yl]-N-(2-propoxyethyl)propanamide.
What is the SMILES notation for 3-[2,5-dioxo-3-[2-oxo-2-(phosphanylamino)ethyl]sulfanylpyrrolidin-1-yl]-N-(2-propoxyethyl)propanamide?
The canonical SMILES for 3-[2,5-dioxo-3-[2-oxo-2-(phosphanylamino)ethyl]sulfanylpyrrolidin-1-yl]-N-(2-propoxyethyl)propanamide is CCCOCCNC(=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-propoxyethyl)propanamide?
The InChIKey is FMGOOPJAOYTSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N3O5PS/c1-2-6-22-7-4-15-11(18)3-5-17-13(20)8-10(14(17)21)24-9-12(19)16-23/h10H,2-9,23H2,1H3,(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-propoxyethyl)propanamide?
3-[2,5-dioxo-3-[2-oxo-2-(phosphanylamino)ethyl]sulfanylpyrrolidin-1-yl]-N-(2-propoxyethyl)propanamide has a molecular weight of 377.40 g/mol, XLogP of -0.31, 11 rotatable bonds, 2 hydrogen bond donors, and 6 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-propoxyethyl)propanamide is sourced from PubChem (CID 58785855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).