[(E)-3-amino-4-methylpent-1-enyl]phosphonic acid

C6H14NO3P — CID 14924303

IUPAC[(E)-3-amino-4-methylpent-1-enyl]phosphonic acid
SMILESCC(C)C(N)/C=C/P(=O)(O)O
InChIInChI=1S/C6H14NO3P/c1-5(2)6(7)3-4-11(8,9)10/h3-6H,7H2,1-2H3,(H2,8,9,10)/b4-3+
InChIKeyDTKJVKVVGQNVBR-ONEGZZNKSA-N
MW179.16 g/mol
LogP0.66
Rot. Bonds3

About [(E)-3-amino-4-methylpent-1-enyl]phosphonic acid

[(E)-3-amino-4-methylpent-1-enyl]phosphonic acid (PubChem CID 14924303) has the molecular formula C6H14NO3P and a molecular weight of 179.16 g/mol. Its IUPAC name is [(E)-3-amino-4-methylpent-1-enyl]phosphonic acid.

Molecular Properties

Compound Name[(E)-3-amino-4-methylpent-1-enyl]phosphonic acid
PubChem CID14924303
Molecular FormulaC6H14NO3P
Molecular Weight179.16 g/mol
Exact Mass179.07
IUPAC Name[(E)-3-amino-4-methylpent-1-enyl]phosphonic acid
SMILESCC(C)C(N)/C=C/P(=O)(O)O
InChIInChI=1S/C6H14NO3P/c1-5(2)6(7)3-4-11(8,9)10/h3-6H,7H2,1-2H3,(H2,8,9,10)/b4-3+
InChIKeyDTKJVKVVGQNVBR-ONEGZZNKSA-N
XLogP0.66
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.16
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chlorobut-1-enylphosphonic acid
CID 175522389
(Z,3S,6S)-2,7-dimethyloct-4-ene-3,6-diamine
CID 101163776
[(1R)-1-aminoethyl]phosphonic acid;hydrochloride
CID 88516256
(2R)-2-amino-3-methylbutanal;ethane
CID 158862704
[(2R)-2-amino-3-methylbutyl]phosphonic acid
CID 102215252
[(1E)-4-hydroxybuta-1,3-dienyl]phosphonic acid
CID 151295904
[[(2S)-2-amino-3-methylbutylidene]amino]urea
CID 54307838
[(2R)-2-aminopropyl]phosphonic acid
CID 92524852
aminophosphonic acid;(2R)-2-aminopropanoic acid
CID 118047649
trimethyl-[(E)-2-phosphonoethenyl]azanium
CID 169492840
dihydrogen phosphate;tetramethylphosphanium
CID 71359633
(E)-4-amino-2,5-dimethylhex-2-enoic acid
CID 22922617

Frequently Asked Questions

What is the IUPAC name of [(E)-3-amino-4-methylpent-1-enyl]phosphonic acid?
The IUPAC name of [(E)-3-amino-4-methylpent-1-enyl]phosphonic acid (CID 14924303) is [(E)-3-amino-4-methylpent-1-enyl]phosphonic acid.
What is the SMILES notation for [(E)-3-amino-4-methylpent-1-enyl]phosphonic acid?
The canonical SMILES for [(E)-3-amino-4-methylpent-1-enyl]phosphonic acid is CC(C)C(N)/C=C/P(=O)(O)O.
What is the InChIKey of [(E)-3-amino-4-methylpent-1-enyl]phosphonic acid?
The InChIKey is DTKJVKVVGQNVBR-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H14NO3P/c1-5(2)6(7)3-4-11(8,9)10/h3-6H,7H2,1-2H3,(H2,8,9,10)/b4-3+.
What are the key properties of [(E)-3-amino-4-methylpent-1-enyl]phosphonic acid?
[(E)-3-amino-4-methylpent-1-enyl]phosphonic acid has a molecular weight of 179.16 g/mol, XLogP of 0.66, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-amino-4-methylpent-1-enyl]phosphonic acid is sourced from PubChem (CID 14924303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).