methyl 5-(4-oxopentanoylamino)pentyl hydrogen phosphate

C11H22NO6P — CID 140965700

IUPACmethyl 5-(4-oxopentanoylamino)pentyl hydrogen phosphate
SMILESCOP(=O)(O)OCCCCCNC(=O)CCC(C)=O
InChIInChI=1S/C11H22NO6P/c1-10(13)6-7-11(14)12-8-4-3-5-9-18-19(15,16)17-2/h3-9H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyGNXCVBNULXLZFO-UHFFFAOYSA-N
MW295.27 g/mol
LogP1.41
Rot. Bonds11

About methyl 5-(4-oxopentanoylamino)pentyl hydrogen phosphate

methyl 5-(4-oxopentanoylamino)pentyl hydrogen phosphate (PubChem CID 140965700) has the molecular formula C11H22NO6P and a molecular weight of 295.27 g/mol. Its IUPAC name is methyl 5-(4-oxopentanoylamino)pentyl hydrogen phosphate.

Molecular Properties

Compound Namemethyl 5-(4-oxopentanoylamino)pentyl hydrogen phosphate
PubChem CID140965700
Molecular FormulaC11H22NO6P
Molecular Weight295.27 g/mol
Exact Mass295.12
IUPAC Namemethyl 5-(4-oxopentanoylamino)pentyl hydrogen phosphate
SMILESCOP(=O)(O)OCCCCCNC(=O)CCC(C)=O
InChIInChI=1S/C11H22NO6P/c1-10(13)6-7-11(14)12-8-4-3-5-9-18-19(15,16)17-2/h3-9H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyGNXCVBNULXLZFO-UHFFFAOYSA-N
XLogP1.41
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 5-(4-oxopentanoylamino)pentyl hydrogen phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

potassium;hydride;[10-[[3-[6-[hydroxy(methoxy)phosphoryl]oxyhexylamino]-3-oxopropyl]disulfanyl]-8-oxodecyl] methyl hydrogen phosphate
CID 162033764
6-[[5-(2-methoxyethylamino)-5-oxopentanoyl]amino]hexyl dihydrogen phosphate
CID 118012875
N-[6-[methoxy(methylsulfanyl)phosphoryl]oxyhexyl]hexadecanamide
CID 177366164
methyl-[6-(pentacosanoylamino)hexoxy]phosphinic acid
CID 167537809
6-[(6,6-dimethyl-5-oxoheptanoyl)amino]hexyl iodo hydrogen phosphate
CID 155322185
methyl pentadecyl hydrogen phosphate
CID 175295583
N-(4-hydroxybutyl)-4-oxopentanamide
CID 58331315
methyl octyl hydrogen phosphate
CID 13032455
1-[2-[[3-[6-[hydroxy(methoxy)phosphoryl]oxyhexylamino]-3-oxopropyl]amino]ethyl]-4-(sulfinatoamino)benzene
CID 155784328
6-[[6-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-6-oxohexanoyl]amino]hexyl methyl hydrogen phosphate
CID 122548736
azane;methyl octyl hydrogen phosphate
CID 175087561
2-methoxy-N-(6-methoxyhexyl)acetamide
CID 177338017

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-oxopentanoylamino)pentyl hydrogen phosphate?
The IUPAC name of methyl 5-(4-oxopentanoylamino)pentyl hydrogen phosphate (CID 140965700) is methyl 5-(4-oxopentanoylamino)pentyl hydrogen phosphate.
What is the SMILES notation for methyl 5-(4-oxopentanoylamino)pentyl hydrogen phosphate?
The canonical SMILES for methyl 5-(4-oxopentanoylamino)pentyl hydrogen phosphate is COP(=O)(O)OCCCCCNC(=O)CCC(C)=O.
What is the InChIKey of methyl 5-(4-oxopentanoylamino)pentyl hydrogen phosphate?
The InChIKey is GNXCVBNULXLZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22NO6P/c1-10(13)6-7-11(14)12-8-4-3-5-9-18-19(15,16)17-2/h3-9H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of methyl 5-(4-oxopentanoylamino)pentyl hydrogen phosphate?
methyl 5-(4-oxopentanoylamino)pentyl hydrogen phosphate has a molecular weight of 295.27 g/mol, XLogP of 1.41, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-oxopentanoylamino)pentyl hydrogen phosphate is sourced from PubChem (CID 140965700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).