[[2-[acetyl(hydroxy)amino]-2-oxoethyl]amino]methyl-methylphosphinic acid

C6H13N2O5P — CID 142100287

IUPAC[[2-[acetyl(hydroxy)amino]-2-oxoethyl]amino]methyl-methylphosphinic acid
SMILESCC(=O)N(O)C(=O)CNCP(C)(=O)O
InChIInChI=1S/C6H13N2O5P/c1-5(9)8(11)6(10)3-7-4-14(2,12)13/h7,11H,3-4H2,1-2H3,(H,12,13)
InChIKeyUCQNCGUNCLPGBL-UHFFFAOYSA-N
MW224.15 g/mol
LogP-0.80
Rot. Bonds4

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

[[2-[acetyl(hydroxy)amino]-2-oxoethyl]amino]methyl-methylphosphinic acid (PubChem CID 142100287) has the molecular formula C6H13N2O5P and a molecular weight of 224.15 g/mol. Its IUPAC name is [[2-[acetyl(hydroxy)amino]-2-oxoethyl]amino]methyl-methylphosphinic acid.

Molecular Properties

Compound Name[[2-[acetyl(hydroxy)amino]-2-oxoethyl]amino]methyl-methylphosphinic acid
PubChem CID142100287
Molecular FormulaC6H13N2O5P
Molecular Weight224.15 g/mol
Exact Mass224.06
IUPAC Name[[2-[acetyl(hydroxy)amino]-2-oxoethyl]amino]methyl-methylphosphinic acid
SMILESCC(=O)N(O)C(=O)CNCP(C)(=O)O
InChIInChI=1S/C6H13N2O5P/c1-5(9)8(11)6(10)3-7-4-14(2,12)13/h7,11H,3-4H2,1-2H3,(H,12,13)
InChIKeyUCQNCGUNCLPGBL-UHFFFAOYSA-N
XLogP-0.80
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.15
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[acetyl(hydroxy)amino]-2-oxoethyl]amino]methyl-methylphosphinic acid?
The IUPAC name of [[2-[acetyl(hydroxy)amino]-2-oxoethyl]amino]methyl-methylphosphinic acid (CID 142100287) is [[2-[acetyl(hydroxy)amino]-2-oxoethyl]amino]methyl-methylphosphinic acid.
What is the SMILES notation for [[2-[acetyl(hydroxy)amino]-2-oxoethyl]amino]methyl-methylphosphinic acid?
The canonical SMILES for [[2-[acetyl(hydroxy)amino]-2-oxoethyl]amino]methyl-methylphosphinic acid is CC(=O)N(O)C(=O)CNCP(C)(=O)O.
What is the InChIKey of [[2-[acetyl(hydroxy)amino]-2-oxoethyl]amino]methyl-methylphosphinic acid?
The InChIKey is UCQNCGUNCLPGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N2O5P/c1-5(9)8(11)6(10)3-7-4-14(2,12)13/h7,11H,3-4H2,1-2H3,(H,12,13).
What are the key properties of [[2-[acetyl(hydroxy)amino]-2-oxoethyl]amino]methyl-methylphosphinic acid?
[[2-[acetyl(hydroxy)amino]-2-oxoethyl]amino]methyl-methylphosphinic acid has a molecular weight of 224.15 g/mol, XLogP of -0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-[acetyl(hydroxy)amino]-2-oxoethyl]amino]methyl-methylphosphinic acid is sourced from PubChem (CID 142100287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).