[(E)-2-methylpropylideneamino]methylphosphonic acid

C5H12NO3P — CID 177272189

IUPAC[(E)-2-methylpropylideneamino]methylphosphonic acid
SMILESCC(C)/C=N/CP(=O)(O)O
InChIInChI=1S/C5H12NO3P/c1-5(2)3-6-4-10(7,8)9/h3,5H,4H2,1-2H3,(H2,7,8,9)/b6-3+
InChIKeyCSYGRAWVSYPIJP-ZZXKWVIFSA-N
MW165.13 g/mol
LogP0.85
Rot. Bonds3

About [(E)-2-methylpropylideneamino]methylphosphonic acid

[(E)-2-methylpropylideneamino]methylphosphonic acid (PubChem CID 177272189) has the molecular formula C5H12NO3P and a molecular weight of 165.13 g/mol. Its IUPAC name is [(E)-2-methylpropylideneamino]methylphosphonic acid.

Molecular Properties

Compound Name[(E)-2-methylpropylideneamino]methylphosphonic acid
PubChem CID177272189
Molecular FormulaC5H12NO3P
Molecular Weight165.13 g/mol
Exact Mass165.06
IUPAC Name[(E)-2-methylpropylideneamino]methylphosphonic acid
SMILESCC(C)/C=N/CP(=O)(O)O
InChIInChI=1S/C5H12NO3P/c1-5(2)3-6-4-10(7,8)9/h3,5H,4H2,1-2H3,(H2,7,8,9)/b6-3+
InChIKeyCSYGRAWVSYPIJP-ZZXKWVIFSA-N
XLogP0.85
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.13
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-hydroxypropylphosphonic acid
CID 12625401
[(2R)-1-phosphonopropan-2-yl]phosphonic acid
CID 7566477
1-phosphonopropan-2-ylphosphonic acid
CID 22023450
sodium;ethylphosphonic acid;hydride
CID 173023675
dipotassium;trisodium;phosphoric acid
CID 175728494
dipotassium;butan-2-yl phosphate
CID 21353345
[(2S)-1-bromopropan-2-yl] dihydrogen phosphate
CID 174150098
(Z)-2-methyl-N-(propan-2-ylideneamino)propan-1-imine
CID 91540977
potassium;hydride;propan-2-yl dihydrogen phosphate
CID 173374044
[(2R)-2-aminopropyl]phosphonic acid
CID 92524852
dihydrogen phosphate;tetramethylphosphanium
CID 71359633
sodium;ethylphosphonic acid;hydride;hydrate
CID 174785976

Frequently Asked Questions

What is the IUPAC name of [(E)-2-methylpropylideneamino]methylphosphonic acid?
The IUPAC name of [(E)-2-methylpropylideneamino]methylphosphonic acid (CID 177272189) is [(E)-2-methylpropylideneamino]methylphosphonic acid.
What is the SMILES notation for [(E)-2-methylpropylideneamino]methylphosphonic acid?
The canonical SMILES for [(E)-2-methylpropylideneamino]methylphosphonic acid is CC(C)/C=N/CP(=O)(O)O.
What is the InChIKey of [(E)-2-methylpropylideneamino]methylphosphonic acid?
The InChIKey is CSYGRAWVSYPIJP-ZZXKWVIFSA-N. The full InChI is InChI=1S/C5H12NO3P/c1-5(2)3-6-4-10(7,8)9/h3,5H,4H2,1-2H3,(H2,7,8,9)/b6-3+.
What are the key properties of [(E)-2-methylpropylideneamino]methylphosphonic acid?
[(E)-2-methylpropylideneamino]methylphosphonic acid has a molecular weight of 165.13 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-methylpropylideneamino]methylphosphonic acid is sourced from PubChem (CID 177272189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).