[4-[ethyl(hydroxy)amino]-4-oxobutyl]phosphonic acid

C6H14NO5P — CID 46223609

IUPAC[4-[ethyl(hydroxy)amino]-4-oxobutyl]phosphonic acid
SMILESCCN(O)C(=O)CCCP(=O)(O)O
InChIInChI=1S/C6H14NO5P/c1-2-7(9)6(8)4-3-5-13(10,11)12/h9H,2-5H2,1H3,(H2,10,11,12)
InChIKeyKODGMPQAVOBBJJ-UHFFFAOYSA-N
MW211.15 g/mol
LogP0.18
Rot. Bonds5

About [4-[ethyl(hydroxy)amino]-4-oxobutyl]phosphonic acid

[4-[ethyl(hydroxy)amino]-4-oxobutyl]phosphonic acid (PubChem CID 46223609) has the molecular formula C6H14NO5P and a molecular weight of 211.15 g/mol. Its IUPAC name is [4-[ethyl(hydroxy)amino]-4-oxobutyl]phosphonic acid.

Molecular Properties

Compound Name[4-[ethyl(hydroxy)amino]-4-oxobutyl]phosphonic acid
PubChem CID46223609
Molecular FormulaC6H14NO5P
Molecular Weight211.15 g/mol
Exact Mass211.06
IUPAC Name[4-[ethyl(hydroxy)amino]-4-oxobutyl]phosphonic acid
SMILESCCN(O)C(=O)CCCP(=O)(O)O
InChIInChI=1S/C6H14NO5P/c1-2-7(9)6(8)4-3-5-13(10,11)12/h9H,2-5H2,1H3,(H2,10,11,12)
InChIKeyKODGMPQAVOBBJJ-UHFFFAOYSA-N
XLogP0.18
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.15
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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Related Compounds

N-ethyl-N-hydroxy-10,10-dimethylundecanamide
CID 18991193
(Z)-N-ethyl-N-hydroxyoctadec-9-enamide
CID 175574437
[4-[ethyl(hydroxy)amino]-4-oxo-1-phenylbutyl]phosphonic acid
CID 54758042
butylphosphonic acid;neodymium
CID 134499527
hexylphosphonic acid;octylphosphonic acid
CID 155346901
azane;pentylphosphonic acid
CID 173073704
potassium;butylphosphonic acid;hydride
CID 174388690
5-phosphonopentylphosphonic acid
CID 2773804
[4-(methoxyamino)-4-oxobutyl]phosphonic acid
CID 71458600
4-dimethylphosphoryl-N-hydroxy-N-propan-2-ylbutanamide
CID 142080859
N-hexadecyl-N-hydroxyoctadecanamide
CID 150697655
CID 86733794
CID 86733794

Frequently Asked Questions

What is the IUPAC name of [4-[ethyl(hydroxy)amino]-4-oxobutyl]phosphonic acid?
The IUPAC name of [4-[ethyl(hydroxy)amino]-4-oxobutyl]phosphonic acid (CID 46223609) is [4-[ethyl(hydroxy)amino]-4-oxobutyl]phosphonic acid.
What is the SMILES notation for [4-[ethyl(hydroxy)amino]-4-oxobutyl]phosphonic acid?
The canonical SMILES for [4-[ethyl(hydroxy)amino]-4-oxobutyl]phosphonic acid is CCN(O)C(=O)CCCP(=O)(O)O.
What is the InChIKey of [4-[ethyl(hydroxy)amino]-4-oxobutyl]phosphonic acid?
The InChIKey is KODGMPQAVOBBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NO5P/c1-2-7(9)6(8)4-3-5-13(10,11)12/h9H,2-5H2,1H3,(H2,10,11,12).
What are the key properties of [4-[ethyl(hydroxy)amino]-4-oxobutyl]phosphonic acid?
[4-[ethyl(hydroxy)amino]-4-oxobutyl]phosphonic acid has a molecular weight of 211.15 g/mol, XLogP of 0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[ethyl(hydroxy)amino]-4-oxobutyl]phosphonic acid is sourced from PubChem (CID 46223609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).