4-amino-3-dimethoxyphosphorylhexan-2-one

C8H18NO4P — CID 176899353

IUPAC4-amino-3-dimethoxyphosphorylhexan-2-one
SMILESCCC(N)C(C(C)=O)P(=O)(OC)OC
InChIInChI=1S/C8H18NO4P/c1-5-7(9)8(6(2)10)14(11,12-3)13-4/h7-8H,5,9H2,1-4H3
InChIKeyFSCZDSZWVDMKNE-UHFFFAOYSA-N
MW223.21 g/mol
LogP1.17
Rot. Bonds6

About 4-amino-3-dimethoxyphosphorylhexan-2-one

4-amino-3-dimethoxyphosphorylhexan-2-one (PubChem CID 176899353) has the molecular formula C8H18NO4P and a molecular weight of 223.21 g/mol. Its IUPAC name is 4-amino-3-dimethoxyphosphorylhexan-2-one.

Molecular Properties

Compound Name4-amino-3-dimethoxyphosphorylhexan-2-one
PubChem CID176899353
Molecular FormulaC8H18NO4P
Molecular Weight223.21 g/mol
Exact Mass223.10
IUPAC Name4-amino-3-dimethoxyphosphorylhexan-2-one
SMILESCCC(N)C(C(C)=O)P(=O)(OC)OC
InChIInChI=1S/C8H18NO4P/c1-5-7(9)8(6(2)10)14(11,12-3)13-4/h7-8H,5,9H2,1-4H3
InChIKeyFSCZDSZWVDMKNE-UHFFFAOYSA-N
XLogP1.17
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-dimethoxyphosphoryloctan-2-one
CID 176899364
3,4-diaminohexan-2-one
CID 21059294
ethyl 2-acetamido-2-dimethoxyphosphorylacetate
CID 66524865
(3R,4S)-4-amino-3-hydroxyhexan-2-one
CID 138626459
1-dimethoxyphosphoryl-1-methoxypropan-2-one
CID 87461484
methyl 2-dimethoxyphosphorylpropanoate
CID 11019771
1-chloro-1-dimethoxyphosphorylpropan-2-one
CID 22399756
methyl (2S)-2-dimethoxyphosphorylpropanoate
CID 124577703
1,1-dimethoxybutan-2-amine;hydrochloride
CID 86775568
(2R)-1-amino-1-dimethoxyphosphorylpropan-2-ol
CID 167170160
dimethoxyphosphoryl 2-methylbutanoate
CID 174709594
hexane-3,4-diamine
CID 12656175

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-dimethoxyphosphorylhexan-2-one?
The IUPAC name of 4-amino-3-dimethoxyphosphorylhexan-2-one (CID 176899353) is 4-amino-3-dimethoxyphosphorylhexan-2-one.
What is the SMILES notation for 4-amino-3-dimethoxyphosphorylhexan-2-one?
The canonical SMILES for 4-amino-3-dimethoxyphosphorylhexan-2-one is CCC(N)C(C(C)=O)P(=O)(OC)OC.
What is the InChIKey of 4-amino-3-dimethoxyphosphorylhexan-2-one?
The InChIKey is FSCZDSZWVDMKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NO4P/c1-5-7(9)8(6(2)10)14(11,12-3)13-4/h7-8H,5,9H2,1-4H3.
What are the key properties of 4-amino-3-dimethoxyphosphorylhexan-2-one?
4-amino-3-dimethoxyphosphorylhexan-2-one has a molecular weight of 223.21 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-dimethoxyphosphorylhexan-2-one is sourced from PubChem (CID 176899353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).