5-amino-2-[[hydroxy(nonyl)phosphoryl]methyl]-5-oxopentanoic acid

C15H30NO5P — CID 58610822

IUPAC5-amino-2-[[hydroxy(nonyl)phosphoryl]methyl]-5-oxopentanoic acid
SMILESCCCCCCCCCP(=O)(O)CC(CCC(N)=O)C(=O)O
InChIInChI=1S/C15H30NO5P/c1-2-3-4-5-6-7-8-11-22(20,21)12-13(15(18)19)9-10-14(16)17/h13H,2-12H2,1H3,(H2,16,17)(H,18,19)(H,20,21)
InChIKeyIQSBIZKXEBUWIY-UHFFFAOYSA-N
MW335.38 g/mol
LogP2.97
Rot. Bonds14

About 5-amino-2-[[hydroxy(nonyl)phosphoryl]methyl]-5-oxopentanoic acid

5-amino-2-[[hydroxy(nonyl)phosphoryl]methyl]-5-oxopentanoic acid (PubChem CID 58610822) has the molecular formula C15H30NO5P and a molecular weight of 335.38 g/mol. Its IUPAC name is 5-amino-2-[[hydroxy(nonyl)phosphoryl]methyl]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-[[hydroxy(nonyl)phosphoryl]methyl]-5-oxopentanoic acid
PubChem CID58610822
Molecular FormulaC15H30NO5P
Molecular Weight335.38 g/mol
Exact Mass335.19
IUPAC Name5-amino-2-[[hydroxy(nonyl)phosphoryl]methyl]-5-oxopentanoic acid
SMILESCCCCCCCCCP(=O)(O)CC(CCC(N)=O)C(=O)O
InChIInChI=1S/C15H30NO5P/c1-2-3-4-5-6-7-8-11-22(20,21)12-13(15(18)19)9-10-14(16)17/h13H,2-12H2,1H3,(H2,16,17)(H,18,19)(H,20,21)
InChIKeyIQSBIZKXEBUWIY-UHFFFAOYSA-N
XLogP2.97
TPSA117.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

2-(3-amino-3-oxopropyl)heptadecanoic acid
CID 174561559
2-[[4-carboxybutyl(hydroxy)phosphoryl]methyl]pentanedioic acid
CID 88884036
3-[hydroxy(pentyl)phosphoryl]-2-methylpropanoic acid
CID 87093840
5-amino-2-(3-amino-3-oxopropyl)-5-oxopentanoic acid
CID 100986466
3-[dodecyl(hydroxy)phosphoryl]propanoic acid
CID 19011094
(2S)-5-amino-2-(octadecylamino)-5-oxopentanoic acid
CID 54197228
didodecylphosphinic acid;nickel
CID 87135872
didecylphosphinic acid;nickel
CID 87135973
dioctadecylphosphinic acid;nickel
CID 87136046
(2S)-5-amino-2-(dodecylamino)-5-oxopentanoic acid;hydrochloride
CID 174954933
tetrapentacontanamide
CID 139682680
tetradecanamide
CID 175692014

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[[hydroxy(nonyl)phosphoryl]methyl]-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-[[hydroxy(nonyl)phosphoryl]methyl]-5-oxopentanoic acid (CID 58610822) is 5-amino-2-[[hydroxy(nonyl)phosphoryl]methyl]-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-[[hydroxy(nonyl)phosphoryl]methyl]-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-[[hydroxy(nonyl)phosphoryl]methyl]-5-oxopentanoic acid is CCCCCCCCCP(=O)(O)CC(CCC(N)=O)C(=O)O.
What is the InChIKey of 5-amino-2-[[hydroxy(nonyl)phosphoryl]methyl]-5-oxopentanoic acid?
The InChIKey is IQSBIZKXEBUWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30NO5P/c1-2-3-4-5-6-7-8-11-22(20,21)12-13(15(18)19)9-10-14(16)17/h13H,2-12H2,1H3,(H2,16,17)(H,18,19)(H,20,21).
What are the key properties of 5-amino-2-[[hydroxy(nonyl)phosphoryl]methyl]-5-oxopentanoic acid?
5-amino-2-[[hydroxy(nonyl)phosphoryl]methyl]-5-oxopentanoic acid has a molecular weight of 335.38 g/mol, XLogP of 2.97, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[[hydroxy(nonyl)phosphoryl]methyl]-5-oxopentanoic acid is sourced from PubChem (CID 58610822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).