(4-methoxy-1,3-dioxoisoindol-2-yl)methyl-[4-methyl-2-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]pentyl]phosphinic acid

C24H36N3O7P — CID 54288270

IUPAC(4-methoxy-1,3-dioxoisoindol-2-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)c2cccc(OC)c2C1=O
InChIInChI=1S/C24H36N3O7P/c1-14(2)10-16(21(28)26-18(11-15(3)4)22(29)25-5)12-35(32,33)13-27-23(30)17-8-7-9-19(34-6)20(17)24(27)31/h7-9,14-16,18H,10-13H2,1-6H3,(H,25,29)(H,26,28)(H,32,33)/t16?,18-/m0/s1
InChIKeyRVRLELHZICXMHB-DAFXYXGESA-N
MW509.54 g/mol
LogP2.46
Rot. Bonds12

About (4-methoxy-1,3-dioxoisoindol-2-yl)methyl-[4-methyl-2-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]pentyl]phosphinic acid

(4-methoxy-1,3-dioxoisoindol-2-yl)methyl-[4-methyl-2-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]pentyl]phosphinic acid (PubChem CID 54288270) has the molecular formula C24H36N3O7P and a molecular weight of 509.54 g/mol. Its IUPAC name is (4-methoxy-1,3-dioxoisoindol-2-yl)methyl-[4-methyl-2-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]pentyl]phosphinic acid.

Molecular Properties

Compound Name(4-methoxy-1,3-dioxoisoindol-2-yl)methyl-[4-methyl-2-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]pentyl]phosphinic acid
PubChem CID54288270
Molecular FormulaC24H36N3O7P
Molecular Weight509.54 g/mol
Exact Mass509.23
IUPAC Name(4-methoxy-1,3-dioxoisoindol-2-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)c2cccc(OC)c2C1=O
InChIInChI=1S/C24H36N3O7P/c1-14(2)10-16(21(28)26-18(11-15(3)4)22(29)25-5)12-35(32,33)13-27-23(30)17-8-7-9-19(34-6)20(17)24(27)31/h7-9,14-16,18H,10-13H2,1-6H3,(H,25,29)(H,26,28)(H,32,33)/t16?,18-/m0/s1
InChIKeyRVRLELHZICXMHB-DAFXYXGESA-N
XLogP2.46
TPSA142.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.54
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-methoxy-1,3-dioxoisoindol-2-yl)methyl-[4-methyl-2-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]pentyl]phosphinic acid?
The IUPAC name of (4-methoxy-1,3-dioxoisoindol-2-yl)methyl-[4-methyl-2-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]pentyl]phosphinic acid (CID 54288270) is (4-methoxy-1,3-dioxoisoindol-2-yl)methyl-[4-methyl-2-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]pentyl]phosphinic acid.
What is the SMILES notation for (4-methoxy-1,3-dioxoisoindol-2-yl)methyl-[4-methyl-2-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]pentyl]phosphinic acid?
The canonical SMILES for (4-methoxy-1,3-dioxoisoindol-2-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)c2cccc(OC)c2C1=O.
What is the InChIKey of (4-methoxy-1,3-dioxoisoindol-2-yl)methyl-[4-methyl-2-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]pentyl]phosphinic acid?
The InChIKey is RVRLELHZICXMHB-DAFXYXGESA-N. The full InChI is InChI=1S/C24H36N3O7P/c1-14(2)10-16(21(28)26-18(11-15(3)4)22(29)25-5)12-35(32,33)13-27-23(30)17-8-7-9-19(34-6)20(17)24(27)31/h7-9,14-16,18H,10-13H2,1-6H3,(H,25,29)(H,26,28)(H,32,33)/t16?,18-/m0/s1.
What are the key properties of (4-methoxy-1,3-dioxoisoindol-2-yl)methyl-[4-methyl-2-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]pentyl]phosphinic acid?
(4-methoxy-1,3-dioxoisoindol-2-yl)methyl-[4-methyl-2-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]pentyl]phosphinic acid has a molecular weight of 509.54 g/mol, XLogP of 2.46, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-1,3-dioxoisoindol-2-yl)methyl-[4-methyl-2-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]pentyl]phosphinic acid is sourced from PubChem (CID 54288270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).