[acetyl-(2-oxopyrrolidin-3-yl)amino]methylphosphonic acid

C7H13N2O5P — CID 15598013

IUPAC[acetyl-(2-oxopyrrolidin-3-yl)amino]methylphosphonic acid
SMILESCC(=O)N(CP(=O)(O)O)C1CCNC1=O
InChIInChI=1S/C7H13N2O5P/c1-5(10)9(4-15(12,13)14)6-2-3-8-7(6)11/h6H,2-4H2,1H3,(H,8,11)(H2,12,13,14)
InChIKeyCTLHPUUPEWGIBL-UHFFFAOYSA-N
MW236.16 g/mol
LogP-1.14
Rot. Bonds3

About [acetyl-(2-oxopyrrolidin-3-yl)amino]methylphosphonic acid

[acetyl-(2-oxopyrrolidin-3-yl)amino]methylphosphonic acid (PubChem CID 15598013) has the molecular formula C7H13N2O5P and a molecular weight of 236.16 g/mol. Its IUPAC name is [acetyl-(2-oxopyrrolidin-3-yl)amino]methylphosphonic acid.

Molecular Properties

Compound Name[acetyl-(2-oxopyrrolidin-3-yl)amino]methylphosphonic acid
PubChem CID15598013
Molecular FormulaC7H13N2O5P
Molecular Weight236.16 g/mol
Exact Mass236.06
IUPAC Name[acetyl-(2-oxopyrrolidin-3-yl)amino]methylphosphonic acid
SMILESCC(=O)N(CP(=O)(O)O)C1CCNC1=O
InChIInChI=1S/C7H13N2O5P/c1-5(10)9(4-15(12,13)14)6-2-3-8-7(6)11/h6H,2-4H2,1H3,(H,8,11)(H2,12,13,14)
InChIKeyCTLHPUUPEWGIBL-UHFFFAOYSA-N
XLogP-1.14
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.16
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [acetyl-(2-oxopyrrolidin-3-yl)amino]methylphosphonic acid?
The IUPAC name of [acetyl-(2-oxopyrrolidin-3-yl)amino]methylphosphonic acid (CID 15598013) is [acetyl-(2-oxopyrrolidin-3-yl)amino]methylphosphonic acid.
What is the SMILES notation for [acetyl-(2-oxopyrrolidin-3-yl)amino]methylphosphonic acid?
The canonical SMILES for [acetyl-(2-oxopyrrolidin-3-yl)amino]methylphosphonic acid is CC(=O)N(CP(=O)(O)O)C1CCNC1=O.
What is the InChIKey of [acetyl-(2-oxopyrrolidin-3-yl)amino]methylphosphonic acid?
The InChIKey is CTLHPUUPEWGIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N2O5P/c1-5(10)9(4-15(12,13)14)6-2-3-8-7(6)11/h6H,2-4H2,1H3,(H,8,11)(H2,12,13,14).
What are the key properties of [acetyl-(2-oxopyrrolidin-3-yl)amino]methylphosphonic acid?
[acetyl-(2-oxopyrrolidin-3-yl)amino]methylphosphonic acid has a molecular weight of 236.16 g/mol, XLogP of -1.14, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyl-(2-oxopyrrolidin-3-yl)amino]methylphosphonic acid is sourced from PubChem (CID 15598013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).