2-[[oxido-[(2-oxopyrrolidin-1-yl)methyl]phosphoryl]methyl]butanedioate

C10H13NO7P-3 — CID 4597985

IUPAC2-[[oxido-[(2-oxopyrrolidin-1-yl)methyl]phosphoryl]methyl]butanedioate
SMILESO=C([O-])CC(CP(=O)([O-])CN1CCCC1=O)C(=O)[O-]
InChIInChI=1S/C10H16NO7P/c12-8-2-1-3-11(8)6-19(17,18)5-7(10(15)16)4-9(13)14/h7H,1-6H2,(H,13,14)(H,15,16)(H,17,18)/p-3
InChIKeyBFEZFTNKHILKBZ-UHFFFAOYSA-K
MW290.19 g/mol
LogP-3.29
Rot. Bonds7

About 2-[[oxido-[(2-oxopyrrolidin-1-yl)methyl]phosphoryl]methyl]butanedioate

2-[[oxido-[(2-oxopyrrolidin-1-yl)methyl]phosphoryl]methyl]butanedioate (PubChem CID 4597985) has the molecular formula C10H13NO7P-3 and a molecular weight of 290.19 g/mol. Its IUPAC name is 2-[[oxido-[(2-oxopyrrolidin-1-yl)methyl]phosphoryl]methyl]butanedioate.

Molecular Properties

Compound Name2-[[oxido-[(2-oxopyrrolidin-1-yl)methyl]phosphoryl]methyl]butanedioate
PubChem CID4597985
Molecular FormulaC10H13NO7P-3
Molecular Weight290.19 g/mol
Exact Mass290.04
IUPAC Name2-[[oxido-[(2-oxopyrrolidin-1-yl)methyl]phosphoryl]methyl]butanedioate
SMILESO=C([O-])CC(CP(=O)([O-])CN1CCCC1=O)C(=O)[O-]
InChIInChI=1S/C10H16NO7P/c12-8-2-1-3-11(8)6-19(17,18)5-7(10(15)16)4-9(13)14/h7H,1-6H2,(H,13,14)(H,15,16)(H,17,18)/p-3
InChIKeyBFEZFTNKHILKBZ-UHFFFAOYSA-K
XLogP-3.29
TPSA140.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 5-3.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[oxido-[(2-oxopyrrolidin-1-yl)methyl]phosphoryl]methyl]butanedioate?
The IUPAC name of 2-[[oxido-[(2-oxopyrrolidin-1-yl)methyl]phosphoryl]methyl]butanedioate (CID 4597985) is 2-[[oxido-[(2-oxopyrrolidin-1-yl)methyl]phosphoryl]methyl]butanedioate.
What is the SMILES notation for 2-[[oxido-[(2-oxopyrrolidin-1-yl)methyl]phosphoryl]methyl]butanedioate?
The canonical SMILES for 2-[[oxido-[(2-oxopyrrolidin-1-yl)methyl]phosphoryl]methyl]butanedioate is O=C([O-])CC(CP(=O)([O-])CN1CCCC1=O)C(=O)[O-].
What is the InChIKey of 2-[[oxido-[(2-oxopyrrolidin-1-yl)methyl]phosphoryl]methyl]butanedioate?
The InChIKey is BFEZFTNKHILKBZ-UHFFFAOYSA-K. The full InChI is InChI=1S/C10H16NO7P/c12-8-2-1-3-11(8)6-19(17,18)5-7(10(15)16)4-9(13)14/h7H,1-6H2,(H,13,14)(H,15,16)(H,17,18)/p-3.
What are the key properties of 2-[[oxido-[(2-oxopyrrolidin-1-yl)methyl]phosphoryl]methyl]butanedioate?
2-[[oxido-[(2-oxopyrrolidin-1-yl)methyl]phosphoryl]methyl]butanedioate has a molecular weight of 290.19 g/mol, XLogP of -3.29, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[oxido-[(2-oxopyrrolidin-1-yl)methyl]phosphoryl]methyl]butanedioate is sourced from PubChem (CID 4597985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).