(2,5-dioxopyrrolidin-1-yl) (4R)-4-[(5-nitro-2-pyridinyl)disulfanyl]pentanoate

C14H15N3O6S2 — CID 124526969

IUPAC(2,5-dioxopyrrolidin-1-yl) (4R)-4-[(5-nitro-2-pyridinyl)disulfanyl]pentanoate
SMILESC[C@H](CCC(=O)ON1C(=O)CCC1=O)SSc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C14H15N3O6S2/c1-9(24-25-11-4-3-10(8-15-11)17(21)22)2-7-14(20)23-16-12(18)5-6-13(16)19/h3-4,8-9H,2,5-7H2,1H3/t9-/m1/s1
InChIKeyJFSJKWBYKAONEH-SECBINFHSA-N
MW385.42 g/mol
LogP2.51
Rot. Bonds8

About (2,5-dioxopyrrolidin-1-yl) (4R)-4-[(5-nitro-2-pyridinyl)disulfanyl]pentanoate

(2,5-dioxopyrrolidin-1-yl) (4R)-4-[(5-nitro-2-pyridinyl)disulfanyl]pentanoate (PubChem CID 124526969) has the molecular formula C14H15N3O6S2 and a molecular weight of 385.42 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) (4R)-4-[(5-nitro-2-pyridinyl)disulfanyl]pentanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) (4R)-4-[(5-nitro-2-pyridinyl)disulfanyl]pentanoate
PubChem CID124526969
Molecular FormulaC14H15N3O6S2
Molecular Weight385.42 g/mol
Exact Mass385.04
IUPAC Name(2,5-dioxopyrrolidin-1-yl) (4R)-4-[(5-nitro-2-pyridinyl)disulfanyl]pentanoate
SMILESC[C@H](CCC(=O)ON1C(=O)CCC1=O)SSc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C14H15N3O6S2/c1-9(24-25-11-4-3-10(8-15-11)17(21)22)2-7-14(20)23-16-12(18)5-6-13(16)19/h3-4,8-9H,2,5-7H2,1H3/t9-/m1/s1
InChIKeyJFSJKWBYKAONEH-SECBINFHSA-N
XLogP2.51
TPSA119.71 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (2,5-dioxopyrrolidin-1-yl) (4R)-4-[(5-nitro-2-pyridinyl)disulfanyl]pentanoate 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

4-[(5-nitro-2-pyridinyl)disulfanyl]pentanoic acid
CID 22382883
4-[(5-nitro-2-pyridinyl)disulfanyl]pentanamide
CID 88563057
(3R)-3-[(5-nitro-2-pyridinyl)disulfanyl]butan-1-ol
CID 126748954
2-[(5-nitro-2-pyridinyl)disulfanyl]propan-1-amine
CID 118938615
1-[2-[(5-nitro-2-pyridinyl)disulfanyl]butanoyloxy]-2,5-dioxopyrrolidine-3-sulfonic acid
CID 87716208
2-[(5-nitro-2-pyridinyl)disulfanyl]propyl N-(4-ethylphenyl)carbamate
CID 129070867
bis(2,5-dioxopyrrolidin-1-yl) (2S)-2-methylpentanedioate
CID 58472277
3-[(5-nitro-2-pyridinyl)disulfanyl]butan-2-yl carbonochloridate;1-[(5-nitro-2-pyridinyl)disulfanyl]propan-2-yl carbonochloridate
CID 135304096
(2,5-dioxopyrrolidin-1-yl) 2-[[2-(2,5-dioxopyrrolidin-1-yl)oxycarbonyl-4-nitrophenyl]disulfanyl]-5-nitrobenzoate
CID 59806893
(2,5-dioxopyrrolidin-1-yl) 6-amino-6-(2,4-dinitrophenyl)hexanoate
CID 87531206
chloro 3-[(5-nitro-2-pyridinyl)disulfanyl]propanoate
CID 135304033
2-(ethyldisulfanyl)-5-nitropyridine
CID 58752642

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) (4R)-4-[(5-nitro-2-pyridinyl)disulfanyl]pentanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) (4R)-4-[(5-nitro-2-pyridinyl)disulfanyl]pentanoate (CID 124526969) is (2,5-dioxopyrrolidin-1-yl) (4R)-4-[(5-nitro-2-pyridinyl)disulfanyl]pentanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) (4R)-4-[(5-nitro-2-pyridinyl)disulfanyl]pentanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) (4R)-4-[(5-nitro-2-pyridinyl)disulfanyl]pentanoate is C[C@H](CCC(=O)ON1C(=O)CCC1=O)SSc1ccc([N+](=O)[O-])cn1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) (4R)-4-[(5-nitro-2-pyridinyl)disulfanyl]pentanoate?
The InChIKey is JFSJKWBYKAONEH-SECBINFHSA-N. The full InChI is InChI=1S/C14H15N3O6S2/c1-9(24-25-11-4-3-10(8-15-11)17(21)22)2-7-14(20)23-16-12(18)5-6-13(16)19/h3-4,8-9H,2,5-7H2,1H3/t9-/m1/s1.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) (4R)-4-[(5-nitro-2-pyridinyl)disulfanyl]pentanoate?
(2,5-dioxopyrrolidin-1-yl) (4R)-4-[(5-nitro-2-pyridinyl)disulfanyl]pentanoate has a molecular weight of 385.42 g/mol, XLogP of 2.51, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) (4R)-4-[(5-nitro-2-pyridinyl)disulfanyl]pentanoate is sourced from PubChem (CID 124526969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).