(4-amino-3,4-dioxobutyl)-methylphosphinic acid

C5H10NO4P — CID 15653739

IUPAC(4-amino-3,4-dioxobutyl)-methylphosphinic acid
SMILESCP(=O)(O)CCC(=O)C(N)=O
InChIInChI=1S/C5H10NO4P/c1-11(9,10)3-2-4(7)5(6)8/h2-3H2,1H3,(H2,6,8)(H,9,10)
InChIKeyYAVRNLFTKJNHMV-UHFFFAOYSA-N
MW179.11 g/mol
LogP-0.67
Rot. Bonds4

About (4-amino-3,4-dioxobutyl)-methylphosphinic acid

(4-amino-3,4-dioxobutyl)-methylphosphinic acid (PubChem CID 15653739) has the molecular formula C5H10NO4P and a molecular weight of 179.11 g/mol. Its IUPAC name is (4-amino-3,4-dioxobutyl)-methylphosphinic acid.

Molecular Properties

Compound Name(4-amino-3,4-dioxobutyl)-methylphosphinic acid
PubChem CID15653739
Molecular FormulaC5H10NO4P
Molecular Weight179.11 g/mol
Exact Mass179.03
IUPAC Name(4-amino-3,4-dioxobutyl)-methylphosphinic acid
SMILESCP(=O)(O)CCC(=O)C(N)=O
InChIInChI=1S/C5H10NO4P/c1-11(9,10)3-2-4(7)5(6)8/h2-3H2,1H3,(H2,6,8)(H,9,10)
InChIKeyYAVRNLFTKJNHMV-UHFFFAOYSA-N
XLogP-0.67
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.11
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[hydroxy(methyl)phosphoryl]-2-oxobutanoic acid;molecular iodine
CID 158506302
[4-(diethylamino)-3,4-dioxobutyl]-methylphosphinic acid
CID 88708749
[3-[3-[3-[hydroxy(methyl)phosphoryl]propanoyloxy]-2,2-dimethylpropoxy]-3-oxopropyl]-methylphosphinic acid
CID 132594746
4-[hydroxy(methyl)phosphoryl]-2-(oxomethylidene)butanoic acid
CID 176523212
methyl(propyl)phosphinic acid
CID 10992780
6-[hydroxy(methyl)phosphoryl]-2,3-dimethyl-4-oxohexanoic acid
CID 58609437
3-aminopropyl(methyl)phosphinic acid chloride
CID 53346869
bis(2-methylprop-2-enamide);phosphoric acid
CID 87675275
2-bromoethyl(methyl)phosphinic acid
CID 15783673
2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid
CID 4794
methane;4-(2-methoxyethoxy)-2-oxobutanamide
CID 159898844
aminomethyl(methyl)phosphinic acid;methylphosphonic acid
CID 158616080

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,4-dioxobutyl)-methylphosphinic acid?
The IUPAC name of (4-amino-3,4-dioxobutyl)-methylphosphinic acid (CID 15653739) is (4-amino-3,4-dioxobutyl)-methylphosphinic acid.
What is the SMILES notation for (4-amino-3,4-dioxobutyl)-methylphosphinic acid?
The canonical SMILES for (4-amino-3,4-dioxobutyl)-methylphosphinic acid is CP(=O)(O)CCC(=O)C(N)=O.
What is the InChIKey of (4-amino-3,4-dioxobutyl)-methylphosphinic acid?
The InChIKey is YAVRNLFTKJNHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10NO4P/c1-11(9,10)3-2-4(7)5(6)8/h2-3H2,1H3,(H2,6,8)(H,9,10).
What are the key properties of (4-amino-3,4-dioxobutyl)-methylphosphinic acid?
(4-amino-3,4-dioxobutyl)-methylphosphinic acid has a molecular weight of 179.11 g/mol, XLogP of -0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,4-dioxobutyl)-methylphosphinic acid is sourced from PubChem (CID 15653739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).