4-amino-3-dimethoxyphosphoryloctan-2-one

C10H22NO4P — CID 176899364

IUPAC4-amino-3-dimethoxyphosphoryloctan-2-one
SMILESCCCCC(N)C(C(C)=O)P(=O)(OC)OC
InChIInChI=1S/C10H22NO4P/c1-5-6-7-9(11)10(8(2)12)16(13,14-3)15-4/h9-10H,5-7,11H2,1-4H3
InChIKeyCPRTVFQQYOIKBB-UHFFFAOYSA-N
MW251.26 g/mol
LogP1.95
Rot. Bonds8

About 4-amino-3-dimethoxyphosphoryloctan-2-one

4-amino-3-dimethoxyphosphoryloctan-2-one (PubChem CID 176899364) has the molecular formula C10H22NO4P and a molecular weight of 251.26 g/mol. Its IUPAC name is 4-amino-3-dimethoxyphosphoryloctan-2-one.

Molecular Properties

Compound Name4-amino-3-dimethoxyphosphoryloctan-2-one
PubChem CID176899364
Molecular FormulaC10H22NO4P
Molecular Weight251.26 g/mol
Exact Mass251.13
IUPAC Name4-amino-3-dimethoxyphosphoryloctan-2-one
SMILESCCCCC(N)C(C(C)=O)P(=O)(OC)OC
InChIInChI=1S/C10H22NO4P/c1-5-6-7-9(11)10(8(2)12)16(13,14-3)15-4/h9-10H,5-7,11H2,1-4H3
InChIKeyCPRTVFQQYOIKBB-UHFFFAOYSA-N
XLogP1.95
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.95
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-dimethoxyphosphorylhexan-2-one
CID 176899353
ethane;ethyl 2-acetylhexanoate
CID 90770730
1-bromo-1-dimethoxyphosphorylhexan-2-ol
CID 22399764
methyl 2-acetyloctadecanoate
CID 88766742
methyl (2R)-2-dimethoxyphosphoryldodecanoate
CID 98566008
(3S)-1-bromo-1-dimethoxyphosphoryl-3-methylheptan-2-one
CID 57256968
2-butylpropanediamide
CID 2317243
methyl (2S)-2-aminohexanoate
CID 7018840
ethyl 4-acetyl-3-oxooctanoate
CID 174725021
ethyl 2-acetamido-2-dimethoxyphosphorylacetate
CID 66524865
ethyl 2-acetyltridecanoate
CID 539486
iron(3+);tris(3-pentylpentane-2,4-dione)
CID 159636722

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-dimethoxyphosphoryloctan-2-one?
The IUPAC name of 4-amino-3-dimethoxyphosphoryloctan-2-one (CID 176899364) is 4-amino-3-dimethoxyphosphoryloctan-2-one.
What is the SMILES notation for 4-amino-3-dimethoxyphosphoryloctan-2-one?
The canonical SMILES for 4-amino-3-dimethoxyphosphoryloctan-2-one is CCCCC(N)C(C(C)=O)P(=O)(OC)OC.
What is the InChIKey of 4-amino-3-dimethoxyphosphoryloctan-2-one?
The InChIKey is CPRTVFQQYOIKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22NO4P/c1-5-6-7-9(11)10(8(2)12)16(13,14-3)15-4/h9-10H,5-7,11H2,1-4H3.
What are the key properties of 4-amino-3-dimethoxyphosphoryloctan-2-one?
4-amino-3-dimethoxyphosphoryloctan-2-one has a molecular weight of 251.26 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-dimethoxyphosphoryloctan-2-one is sourced from PubChem (CID 176899364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).