carbon dioxide;[5-(octylamino)-5-oxopentyl]phosphonic acid

C14H28NO6P — CID 160559834

IUPACcarbon dioxide;[5-(octylamino)-5-oxopentyl]phosphonic acid
SMILESCCCCCCCCNC(=O)CCCCP(=O)(O)O.O=C=O
InChIInChI=1S/C13H28NO4P.CO2/c1-2-3-4-5-6-8-11-14-13(15)10-7-9-12-19(16,17)18;2-1-3/h2-12H2,1H3,(H,14,15)(H2,16,17,18);
InChIKeyQZDSNXWOLCAWTO-UHFFFAOYSA-N
MW337.35 g/mol
LogP2.23
Rot. Bonds12

About carbon dioxide;[5-(octylamino)-5-oxopentyl]phosphonic acid

carbon dioxide;[5-(octylamino)-5-oxopentyl]phosphonic acid (PubChem CID 160559834) has the molecular formula C14H28NO6P and a molecular weight of 337.35 g/mol. Its IUPAC name is carbon dioxide;[5-(octylamino)-5-oxopentyl]phosphonic acid.

Molecular Properties

Compound Namecarbon dioxide;[5-(octylamino)-5-oxopentyl]phosphonic acid
PubChem CID160559834
Molecular FormulaC14H28NO6P
Molecular Weight337.35 g/mol
Exact Mass337.17
IUPAC Namecarbon dioxide;[5-(octylamino)-5-oxopentyl]phosphonic acid
SMILESCCCCCCCCNC(=O)CCCCP(=O)(O)O.O=C=O
InChIInChI=1S/C13H28NO4P.CO2/c1-2-3-4-5-6-8-11-14-13(15)10-7-9-12-19(16,17)18;2-1-3/h2-12H2,1H3,(H,14,15)(H2,16,17,18);
InChIKeyQZDSNXWOLCAWTO-UHFFFAOYSA-N
XLogP2.23
TPSA120.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 52.23
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

3-(tetradecanoylamino)propylphosphonic acid
CID 141196377
butyl-[5-(hexanoylamino)pentyl]phosphinic acid
CID 170966212
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558
N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783
N-octadecyloctanamide
CID 5161729
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-nonyltridecanamide
CID 154228217

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;[5-(octylamino)-5-oxopentyl]phosphonic acid?
The IUPAC name of carbon dioxide;[5-(octylamino)-5-oxopentyl]phosphonic acid (CID 160559834) is carbon dioxide;[5-(octylamino)-5-oxopentyl]phosphonic acid.
What is the SMILES notation for carbon dioxide;[5-(octylamino)-5-oxopentyl]phosphonic acid?
The canonical SMILES for carbon dioxide;[5-(octylamino)-5-oxopentyl]phosphonic acid is CCCCCCCCNC(=O)CCCCP(=O)(O)O.O=C=O.
What is the InChIKey of carbon dioxide;[5-(octylamino)-5-oxopentyl]phosphonic acid?
The InChIKey is QZDSNXWOLCAWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28NO4P.CO2/c1-2-3-4-5-6-8-11-14-13(15)10-7-9-12-19(16,17)18;2-1-3/h2-12H2,1H3,(H,14,15)(H2,16,17,18);.
What are the key properties of carbon dioxide;[5-(octylamino)-5-oxopentyl]phosphonic acid?
carbon dioxide;[5-(octylamino)-5-oxopentyl]phosphonic acid has a molecular weight of 337.35 g/mol, XLogP of 2.23, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;[5-(octylamino)-5-oxopentyl]phosphonic acid is sourced from PubChem (CID 160559834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).