ethoxy-[3-(hydroxyamino)propanoyl]phosphinic acid

C5H12NO5P — CID 87982515

IUPACethoxy-[3-(hydroxyamino)propanoyl]phosphinic acid
SMILESCCOP(=O)(O)C(=O)CCNO
InChIInChI=1S/C5H12NO5P/c1-2-11-12(9,10)5(7)3-4-6-8/h6,8H,2-4H2,1H3,(H,9,10)
InChIKeyAMOQXNKMFHQBLW-UHFFFAOYSA-N
MW197.13 g/mol
LogP0.10
Rot. Bonds6

About ethoxy-[3-(hydroxyamino)propanoyl]phosphinic acid

ethoxy-[3-(hydroxyamino)propanoyl]phosphinic acid (PubChem CID 87982515) has the molecular formula C5H12NO5P and a molecular weight of 197.13 g/mol. Its IUPAC name is ethoxy-[3-(hydroxyamino)propanoyl]phosphinic acid.

Molecular Properties

Compound Nameethoxy-[3-(hydroxyamino)propanoyl]phosphinic acid
PubChem CID87982515
Molecular FormulaC5H12NO5P
Molecular Weight197.13 g/mol
Exact Mass197.05
IUPAC Nameethoxy-[3-(hydroxyamino)propanoyl]phosphinic acid
SMILESCCOP(=O)(O)C(=O)CCNO
InChIInChI=1S/C5H12NO5P/c1-2-11-12(9,10)5(7)3-4-6-8/h6,8H,2-4H2,1H3,(H,9,10)
InChIKeyAMOQXNKMFHQBLW-UHFFFAOYSA-N
XLogP0.10
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.13
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethoxy-[3-(hydroxyamino)propanoyl]phosphinic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azane;carbamoyl(ethoxy)phosphinic acid
CID 12877611
ethoxy-[1-[ethoxy(hydroxy)phosphoryl]ethenyl]phosphinic acid
CID 101374265
ethyl dihydrogen phosphate;N-methylmethanamine
CID 88518083
carbamoyl(ethoxy)phosphinic acid;N,N-diethylethanamine
CID 173456241
diethyl hydrogen phosphate;sulfane
CID 88774651
copper;diethyl hydrogen phosphate
CID 174593393
diethyl hydrogen phosphate;phosphoric acid
CID 87753541
CID 54611578
CID 54611578
alumane;ethyl dihydrogen phosphate
CID 173113989
alumane;tris(ethyl dihydrogen phosphate)
CID 173189565
azane;bis(ethyl dihydrogen phosphate)
CID 174611775
diethyl hydrogen phosphate;scandium
CID 54607585

Frequently Asked Questions

What is the IUPAC name of ethoxy-[3-(hydroxyamino)propanoyl]phosphinic acid?
The IUPAC name of ethoxy-[3-(hydroxyamino)propanoyl]phosphinic acid (CID 87982515) is ethoxy-[3-(hydroxyamino)propanoyl]phosphinic acid.
What is the SMILES notation for ethoxy-[3-(hydroxyamino)propanoyl]phosphinic acid?
The canonical SMILES for ethoxy-[3-(hydroxyamino)propanoyl]phosphinic acid is CCOP(=O)(O)C(=O)CCNO.
What is the InChIKey of ethoxy-[3-(hydroxyamino)propanoyl]phosphinic acid?
The InChIKey is AMOQXNKMFHQBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NO5P/c1-2-11-12(9,10)5(7)3-4-6-8/h6,8H,2-4H2,1H3,(H,9,10).
What are the key properties of ethoxy-[3-(hydroxyamino)propanoyl]phosphinic acid?
ethoxy-[3-(hydroxyamino)propanoyl]phosphinic acid has a molecular weight of 197.13 g/mol, XLogP of 0.10, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-[3-(hydroxyamino)propanoyl]phosphinic acid is sourced from PubChem (CID 87982515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).