(3-amino-2-oxopropoxy)-methylphosphinic acid

C4H10NO4P — CID 140999170

IUPAC(3-amino-2-oxopropoxy)-methylphosphinic acid
SMILESCP(=O)(O)OCC(=O)CN
InChIInChI=1S/C4H10NO4P/c1-10(7,8)9-3-4(6)2-5/h2-3,5H2,1H3,(H,7,8)
InChIKeyIEFNPVXHWRAPJA-UHFFFAOYSA-N
MW167.10 g/mol
LogP-0.65
Rot. Bonds4

About (3-amino-2-oxopropoxy)-methylphosphinic acid

(3-amino-2-oxopropoxy)-methylphosphinic acid (PubChem CID 140999170) has the molecular formula C4H10NO4P and a molecular weight of 167.10 g/mol. Its IUPAC name is (3-amino-2-oxopropoxy)-methylphosphinic acid.

Molecular Properties

Compound Name(3-amino-2-oxopropoxy)-methylphosphinic acid
PubChem CID140999170
Molecular FormulaC4H10NO4P
Molecular Weight167.10 g/mol
Exact Mass167.03
IUPAC Name(3-amino-2-oxopropoxy)-methylphosphinic acid
SMILESCP(=O)(O)OCC(=O)CN
InChIInChI=1S/C4H10NO4P/c1-10(7,8)9-3-4(6)2-5/h2-3,5H2,1H3,(H,7,8)
InChIKeyIEFNPVXHWRAPJA-UHFFFAOYSA-N
XLogP-0.65
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.10
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-amino-2-oxopropoxy)-methylphosphinic acid?
The IUPAC name of (3-amino-2-oxopropoxy)-methylphosphinic acid (CID 140999170) is (3-amino-2-oxopropoxy)-methylphosphinic acid.
What is the SMILES notation for (3-amino-2-oxopropoxy)-methylphosphinic acid?
The canonical SMILES for (3-amino-2-oxopropoxy)-methylphosphinic acid is CP(=O)(O)OCC(=O)CN.
What is the InChIKey of (3-amino-2-oxopropoxy)-methylphosphinic acid?
The InChIKey is IEFNPVXHWRAPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10NO4P/c1-10(7,8)9-3-4(6)2-5/h2-3,5H2,1H3,(H,7,8).
What are the key properties of (3-amino-2-oxopropoxy)-methylphosphinic acid?
(3-amino-2-oxopropoxy)-methylphosphinic acid has a molecular weight of 167.10 g/mol, XLogP of -0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-oxopropoxy)-methylphosphinic acid is sourced from PubChem (CID 140999170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).