phosphono 6-acetamidohexanoate

C8H16NO6P — CID 87087647

IUPACphosphono 6-acetamidohexanoate
SMILESCC(=O)NCCCCCC(=O)OP(=O)(O)O
InChIInChI=1S/C8H16NO6P/c1-7(10)9-6-4-2-3-5-8(11)15-16(12,13)14/h2-6H2,1H3,(H,9,10)(H2,12,13,14)
InChIKeyOTAIDQCHVKFDQZ-UHFFFAOYSA-N
MW253.19 g/mol
LogP0.32
Rot. Bonds7

About phosphono 6-acetamidohexanoate

phosphono 6-acetamidohexanoate (PubChem CID 87087647) has the molecular formula C8H16NO6P and a molecular weight of 253.19 g/mol. Its IUPAC name is phosphono 6-acetamidohexanoate.

Molecular Properties

Compound Namephosphono 6-acetamidohexanoate
PubChem CID87087647
Molecular FormulaC8H16NO6P
Molecular Weight253.19 g/mol
Exact Mass253.07
IUPAC Namephosphono 6-acetamidohexanoate
SMILESCC(=O)NCCCCCC(=O)OP(=O)(O)O
InChIInChI=1S/C8H16NO6P/c1-7(10)9-6-4-2-3-5-8(11)15-16(12,13)14/h2-6H2,1H3,(H,9,10)(H2,12,13,14)
InChIKeyOTAIDQCHVKFDQZ-UHFFFAOYSA-N
XLogP0.32
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.19
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

formic acid;methyl 7-acetamidoheptanoate
CID 145029854
N-(8-oxononyl)acetamide
CID 58114719
6-acetamido-N-propylhexanamide
CID 60654879
phosphono 7,7-dimethyloctanoate
CID 87552057
ethene;phosphono octadecanoate;hydrate
CID 175287151
phosphono docos-13-enoate
CID 173153244
5-acetamido-N-butylpentanamide
CID 123729472
dodecyl 6-acetamidohexanoate
CID 21259378
neodymium;phosphono (Z)-octadec-9-enoate
CID 175084367
[(2R)-1-(12-acetamidododecanoyloxy)-3-phosphonooxypropan-2-yl] tridecanoate
CID 89019846
[(2R)-1-(9-acetamidononanoyloxy)-3-phosphonooxypropan-2-yl] dodecanoate
CID 59521689
[(2S)-3-phosphonooxy-2-undecanoyloxypropyl] 14-acetamidotetradecanoate
CID 59521868

Frequently Asked Questions

What is the IUPAC name of phosphono 6-acetamidohexanoate?
The IUPAC name of phosphono 6-acetamidohexanoate (CID 87087647) is phosphono 6-acetamidohexanoate.
What is the SMILES notation for phosphono 6-acetamidohexanoate?
The canonical SMILES for phosphono 6-acetamidohexanoate is CC(=O)NCCCCCC(=O)OP(=O)(O)O.
What is the InChIKey of phosphono 6-acetamidohexanoate?
The InChIKey is OTAIDQCHVKFDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16NO6P/c1-7(10)9-6-4-2-3-5-8(11)15-16(12,13)14/h2-6H2,1H3,(H,9,10)(H2,12,13,14).
What are the key properties of phosphono 6-acetamidohexanoate?
phosphono 6-acetamidohexanoate has a molecular weight of 253.19 g/mol, XLogP of 0.32, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phosphono 6-acetamidohexanoate is sourced from PubChem (CID 87087647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).