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

C4H10NO4P — CID 71382288

IUPAC(3-amino-3-oxopropoxy)-methylphosphinic acid
SMILESCP(=O)(O)OCCC(N)=O
InChIInChI=1S/C4H10NO4P/c1-10(7,8)9-3-2-4(5)6/h2-3H2,1H3,(H2,5,6)(H,7,8)
InChIKeyIAVRUWSBAWMGFY-UHFFFAOYSA-N
MW167.10 g/mol
LogP-0.31
Rot. Bonds4

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

(3-amino-3-oxopropoxy)-methylphosphinic acid (PubChem CID 71382288) has the molecular formula C4H10NO4P and a molecular weight of 167.10 g/mol. Its IUPAC name is (3-amino-3-oxopropoxy)-methylphosphinic acid.

Molecular Properties

Compound Name(3-amino-3-oxopropoxy)-methylphosphinic acid
PubChem CID71382288
Molecular FormulaC4H10NO4P
Molecular Weight167.10 g/mol
Exact Mass167.03
IUPAC Name(3-amino-3-oxopropoxy)-methylphosphinic acid
SMILESCP(=O)(O)OCCC(N)=O
InChIInChI=1S/C4H10NO4P/c1-10(7,8)9-3-2-4(5)6/h2-3H2,1H3,(H2,5,6)(H,7,8)
InChIKeyIAVRUWSBAWMGFY-UHFFFAOYSA-N
XLogP-0.31
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.10
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[hydroxy(methyl)phosphoryl]oxypentanoic acid
CID 139636947
2-(diaminomethylideneamino)ethoxy-methylphosphinic acid
CID 3327890
(4-amino-4-oxobutyl) methyl hydrogen phosphate
CID 89393269
(3-amino-3-oxopropyl) acetate
CID 19981550
4-methoxybutanamide
CID 22414177
6-aminohexoxy(methyl)phosphinic acid;ethane
CID 166146480
2-[2-[2-[2-[2-[2-[hydroxy-[2-[2-[2-[2-[2-(2-phosphonooxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy-methylphosphinic acid
CID 174196734
4-[ethoxy(hydroxy)phosphoryl]oxybutoxy-methylphosphinic acid
CID 58291192
methyl-[10-(2-methylprop-2-enoyloxy)decoxy]phosphinic acid
CID 164973932
4-methoxybutanamide;hydrochloride
CID 141117964
methyl(6-sulfanylhexoxy)phosphinic acid
CID 59539997
2-ethylsulfinylethoxy(methyl)phosphinic acid
CID 175986683

Frequently Asked Questions

What is the IUPAC name of (3-amino-3-oxopropoxy)-methylphosphinic acid?
The IUPAC name of (3-amino-3-oxopropoxy)-methylphosphinic acid (CID 71382288) is (3-amino-3-oxopropoxy)-methylphosphinic acid.
What is the SMILES notation for (3-amino-3-oxopropoxy)-methylphosphinic acid?
The canonical SMILES for (3-amino-3-oxopropoxy)-methylphosphinic acid is CP(=O)(O)OCCC(N)=O.
What is the InChIKey of (3-amino-3-oxopropoxy)-methylphosphinic acid?
The InChIKey is IAVRUWSBAWMGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10NO4P/c1-10(7,8)9-3-2-4(5)6/h2-3H2,1H3,(H2,5,6)(H,7,8).
What are the key properties of (3-amino-3-oxopropoxy)-methylphosphinic acid?
(3-amino-3-oxopropoxy)-methylphosphinic acid has a molecular weight of 167.10 g/mol, XLogP of -0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-3-oxopropoxy)-methylphosphinic acid is sourced from PubChem (CID 71382288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).