(2,6-dioxopiperidin-1-yl)methyl-[4-methyl-2-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]pentyl]phosphinic acid

C20H36N3O6P — CID 18636022

IUPAC(2,6-dioxopiperidin-1-yl)methyl-[4-methyl-2-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]pentyl]phosphinic acid
SMILESCNC(=O)[C@H](CC(C)C)NC(=O)C(CC(C)C)CP(=O)(O)CN1C(=O)CCCC1=O
InChIInChI=1S/C20H36N3O6P/c1-13(2)9-15(19(26)22-16(10-14(3)4)20(27)21-5)11-30(28,29)12-23-17(24)7-6-8-18(23)25/h13-16H,6-12H2,1-5H3,(H,21,27)(H,22,26)(H,28,29)/t15?,16-/m0/s1
InChIKeyHTNANCWFLPVDPU-LYKKTTPLSA-N
MW445.50 g/mol
LogP1.69
Rot. Bonds11

About (2,6-dioxopiperidin-1-yl)methyl-[4-methyl-2-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]pentyl]phosphinic acid

(2,6-dioxopiperidin-1-yl)methyl-[4-methyl-2-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]pentyl]phosphinic acid (PubChem CID 18636022) has the molecular formula C20H36N3O6P and a molecular weight of 445.50 g/mol. Its IUPAC name is (2,6-dioxopiperidin-1-yl)methyl-[4-methyl-2-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]pentyl]phosphinic acid.

Molecular Properties

Compound Name(2,6-dioxopiperidin-1-yl)methyl-[4-methyl-2-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]pentyl]phosphinic acid
PubChem CID18636022
Molecular FormulaC20H36N3O6P
Molecular Weight445.50 g/mol
Exact Mass445.23
IUPAC Name(2,6-dioxopiperidin-1-yl)methyl-[4-methyl-2-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]pentyl]phosphinic acid
SMILESCNC(=O)[C@H](CC(C)C)NC(=O)C(CC(C)C)CP(=O)(O)CN1C(=O)CCCC1=O
InChIInChI=1S/C20H36N3O6P/c1-13(2)9-15(19(26)22-16(10-14(3)4)20(27)21-5)11-30(28,29)12-23-17(24)7-6-8-18(23)25/h13-16H,6-12H2,1-5H3,(H,21,27)(H,22,26)(H,28,29)/t15?,16-/m0/s1
InChIKeyHTNANCWFLPVDPU-LYKKTTPLSA-N
XLogP1.69
TPSA132.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2,6-dioxopiperidin-1-yl)methyl-[4-methyl-2-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]pentyl]phosphinic 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 (2,6-dioxopiperidin-1-yl)methyl-[4-methyl-2-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]pentyl]phosphinic acid?
The IUPAC name of (2,6-dioxopiperidin-1-yl)methyl-[4-methyl-2-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]pentyl]phosphinic acid (CID 18636022) is (2,6-dioxopiperidin-1-yl)methyl-[4-methyl-2-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]pentyl]phosphinic acid.
What is the SMILES notation for (2,6-dioxopiperidin-1-yl)methyl-[4-methyl-2-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]pentyl]phosphinic acid?
The canonical SMILES for (2,6-dioxopiperidin-1-yl)methyl-[4-methyl-2-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]pentyl]phosphinic acid is CNC(=O)[C@H](CC(C)C)NC(=O)C(CC(C)C)CP(=O)(O)CN1C(=O)CCCC1=O.
What is the InChIKey of (2,6-dioxopiperidin-1-yl)methyl-[4-methyl-2-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]pentyl]phosphinic acid?
The InChIKey is HTNANCWFLPVDPU-LYKKTTPLSA-N. The full InChI is InChI=1S/C20H36N3O6P/c1-13(2)9-15(19(26)22-16(10-14(3)4)20(27)21-5)11-30(28,29)12-23-17(24)7-6-8-18(23)25/h13-16H,6-12H2,1-5H3,(H,21,27)(H,22,26)(H,28,29)/t15?,16-/m0/s1.
What are the key properties of (2,6-dioxopiperidin-1-yl)methyl-[4-methyl-2-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]pentyl]phosphinic acid?
(2,6-dioxopiperidin-1-yl)methyl-[4-methyl-2-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]pentyl]phosphinic acid has a molecular weight of 445.50 g/mol, XLogP of 1.69, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dioxopiperidin-1-yl)methyl-[4-methyl-2-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]pentyl]phosphinic acid is sourced from PubChem (CID 18636022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).