2-[3-[[8-aminooctyl(hydroxy)phosphoryl]amino]-2-oxopiperidin-1-yl]acetic acid

C15H30N3O5P — CID 70058120

IUPAC2-[3-[[8-aminooctyl(hydroxy)phosphoryl]amino]-2-oxopiperidin-1-yl]acetic acid
SMILESNCCCCCCCCP(=O)(O)NC1CCCN(CC(=O)O)C1=O
InChIInChI=1S/C15H30N3O5P/c16-9-5-3-1-2-4-6-11-24(22,23)17-13-8-7-10-18(15(13)21)12-14(19)20/h13H,1-12,16H2,(H,19,20)(H2,17,22,23)
InChIKeyAQYIBYKIJZUJSE-UHFFFAOYSA-N
MW363.40 g/mol
LogP1.14
Rot. Bonds12

About 2-[3-[[8-aminooctyl(hydroxy)phosphoryl]amino]-2-oxopiperidin-1-yl]acetic acid

2-[3-[[8-aminooctyl(hydroxy)phosphoryl]amino]-2-oxopiperidin-1-yl]acetic acid (PubChem CID 70058120) has the molecular formula C15H30N3O5P and a molecular weight of 363.40 g/mol. Its IUPAC name is 2-[3-[[8-aminooctyl(hydroxy)phosphoryl]amino]-2-oxopiperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[[8-aminooctyl(hydroxy)phosphoryl]amino]-2-oxopiperidin-1-yl]acetic acid
PubChem CID70058120
Molecular FormulaC15H30N3O5P
Molecular Weight363.40 g/mol
Exact Mass363.19
IUPAC Name2-[3-[[8-aminooctyl(hydroxy)phosphoryl]amino]-2-oxopiperidin-1-yl]acetic acid
SMILESNCCCCCCCCP(=O)(O)NC1CCCN(CC(=O)O)C1=O
InChIInChI=1S/C15H30N3O5P/c16-9-5-3-1-2-4-6-11-24(22,23)17-13-8-7-10-18(15(13)21)12-14(19)20/h13H,1-12,16H2,(H,19,20)(H2,17,22,23)
InChIKeyAQYIBYKIJZUJSE-UHFFFAOYSA-N
XLogP1.14
TPSA132.96 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 51.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[3-[[8-aminooctyl(hydroxy)phosphoryl]amino]-2-oxopiperidin-1-yl]acetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[8-aminooctyl(hydroxy)phosphoryl]amino]-2-oxopiperidin-1-yl]acetic acid?
The IUPAC name of 2-[3-[[8-aminooctyl(hydroxy)phosphoryl]amino]-2-oxopiperidin-1-yl]acetic acid (CID 70058120) is 2-[3-[[8-aminooctyl(hydroxy)phosphoryl]amino]-2-oxopiperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[[8-aminooctyl(hydroxy)phosphoryl]amino]-2-oxopiperidin-1-yl]acetic acid?
The canonical SMILES for 2-[3-[[8-aminooctyl(hydroxy)phosphoryl]amino]-2-oxopiperidin-1-yl]acetic acid is NCCCCCCCCP(=O)(O)NC1CCCN(CC(=O)O)C1=O.
What is the InChIKey of 2-[3-[[8-aminooctyl(hydroxy)phosphoryl]amino]-2-oxopiperidin-1-yl]acetic acid?
The InChIKey is AQYIBYKIJZUJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N3O5P/c16-9-5-3-1-2-4-6-11-24(22,23)17-13-8-7-10-18(15(13)21)12-14(19)20/h13H,1-12,16H2,(H,19,20)(H2,17,22,23).
What are the key properties of 2-[3-[[8-aminooctyl(hydroxy)phosphoryl]amino]-2-oxopiperidin-1-yl]acetic acid?
2-[3-[[8-aminooctyl(hydroxy)phosphoryl]amino]-2-oxopiperidin-1-yl]acetic acid has a molecular weight of 363.40 g/mol, XLogP of 1.14, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[8-aminooctyl(hydroxy)phosphoryl]amino]-2-oxopiperidin-1-yl]acetic acid is sourced from PubChem (CID 70058120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).