[2-[[2-[ethyl(hydroxy)amino]-2-oxoethyl]amino]-2-oxoethyl]-methylphosphinic acid

C7H15N2O5P — CID 142100129

IUPAC[2-[[2-[ethyl(hydroxy)amino]-2-oxoethyl]amino]-2-oxoethyl]-methylphosphinic acid
SMILESCCN(O)C(=O)CNC(=O)CP(C)(=O)O
InChIInChI=1S/C7H15N2O5P/c1-3-9(12)7(11)4-8-6(10)5-15(2,13)14/h12H,3-5H2,1-2H3,(H,8,10)(H,13,14)
InChIKeyDPDRRKHHCSDXSR-UHFFFAOYSA-N
MW238.18 g/mol
LogP-0.76
Rot. Bonds5

About [2-[[2-[ethyl(hydroxy)amino]-2-oxoethyl]amino]-2-oxoethyl]-methylphosphinic acid

[2-[[2-[ethyl(hydroxy)amino]-2-oxoethyl]amino]-2-oxoethyl]-methylphosphinic acid (PubChem CID 142100129) has the molecular formula C7H15N2O5P and a molecular weight of 238.18 g/mol. Its IUPAC name is [2-[[2-[ethyl(hydroxy)amino]-2-oxoethyl]amino]-2-oxoethyl]-methylphosphinic acid.

Molecular Properties

Compound Name[2-[[2-[ethyl(hydroxy)amino]-2-oxoethyl]amino]-2-oxoethyl]-methylphosphinic acid
PubChem CID142100129
Molecular FormulaC7H15N2O5P
Molecular Weight238.18 g/mol
Exact Mass238.07
IUPAC Name[2-[[2-[ethyl(hydroxy)amino]-2-oxoethyl]amino]-2-oxoethyl]-methylphosphinic acid
SMILESCCN(O)C(=O)CNC(=O)CP(C)(=O)O
InChIInChI=1S/C7H15N2O5P/c1-3-9(12)7(11)4-8-6(10)5-15(2,13)14/h12H,3-5H2,1-2H3,(H,8,10)(H,13,14)
InChIKeyDPDRRKHHCSDXSR-UHFFFAOYSA-N
XLogP-0.76
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.18
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[[2-[ethyl(hydroxy)amino]-2-oxoethyl]amino]-2-oxoethyl]-methylphosphinic acid?
The IUPAC name of [2-[[2-[ethyl(hydroxy)amino]-2-oxoethyl]amino]-2-oxoethyl]-methylphosphinic acid (CID 142100129) is [2-[[2-[ethyl(hydroxy)amino]-2-oxoethyl]amino]-2-oxoethyl]-methylphosphinic acid.
What is the SMILES notation for [2-[[2-[ethyl(hydroxy)amino]-2-oxoethyl]amino]-2-oxoethyl]-methylphosphinic acid?
The canonical SMILES for [2-[[2-[ethyl(hydroxy)amino]-2-oxoethyl]amino]-2-oxoethyl]-methylphosphinic acid is CCN(O)C(=O)CNC(=O)CP(C)(=O)O.
What is the InChIKey of [2-[[2-[ethyl(hydroxy)amino]-2-oxoethyl]amino]-2-oxoethyl]-methylphosphinic acid?
The InChIKey is DPDRRKHHCSDXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N2O5P/c1-3-9(12)7(11)4-8-6(10)5-15(2,13)14/h12H,3-5H2,1-2H3,(H,8,10)(H,13,14).
What are the key properties of [2-[[2-[ethyl(hydroxy)amino]-2-oxoethyl]amino]-2-oxoethyl]-methylphosphinic acid?
[2-[[2-[ethyl(hydroxy)amino]-2-oxoethyl]amino]-2-oxoethyl]-methylphosphinic acid has a molecular weight of 238.18 g/mol, XLogP of -0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-[ethyl(hydroxy)amino]-2-oxoethyl]amino]-2-oxoethyl]-methylphosphinic acid is sourced from PubChem (CID 142100129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).