(3-amino-2,5-dioxopyrrolidin-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate

C16H19N3O6 — CID 90273813

IUPAC(3-amino-2,5-dioxopyrrolidin-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate
SMILESNC1CC(=O)N(OC(=O)C2CCC(CN3C(=O)C=CC3=O)CC2)C1=O
InChIInChI=1S/C16H19N3O6/c17-11-7-14(22)19(15(11)23)25-16(24)10-3-1-9(2-4-10)8-18-12(20)5-6-13(18)21/h5-6,9-11H,1-4,7-8,17H2
InChIKeyNTYVZNZMIAHDPP-UHFFFAOYSA-N
MW349.34 g/mol
LogP-0.74
Rot. Bonds4

About (3-amino-2,5-dioxopyrrolidin-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate

(3-amino-2,5-dioxopyrrolidin-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate (PubChem CID 90273813) has the molecular formula C16H19N3O6 and a molecular weight of 349.34 g/mol. Its IUPAC name is (3-amino-2,5-dioxopyrrolidin-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Name(3-amino-2,5-dioxopyrrolidin-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate
PubChem CID90273813
Molecular FormulaC16H19N3O6
Molecular Weight349.34 g/mol
Exact Mass349.13
IUPAC Name(3-amino-2,5-dioxopyrrolidin-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate
SMILESNC1CC(=O)N(OC(=O)C2CCC(CN3C(=O)C=CC3=O)CC2)C1=O
InChIInChI=1S/C16H19N3O6/c17-11-7-14(22)19(15(11)23)25-16(24)10-3-1-9(2-4-10)8-18-12(20)5-6-13(18)21/h5-6,9-11H,1-4,7-8,17H2
InChIKeyNTYVZNZMIAHDPP-UHFFFAOYSA-N
XLogP-0.74
TPSA127.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (3-amino-2,5-dioxopyrrolidin-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate 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 (3-amino-2,5-dioxopyrrolidin-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate?
The IUPAC name of (3-amino-2,5-dioxopyrrolidin-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate (CID 90273813) is (3-amino-2,5-dioxopyrrolidin-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate.
What is the SMILES notation for (3-amino-2,5-dioxopyrrolidin-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate?
The canonical SMILES for (3-amino-2,5-dioxopyrrolidin-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate is NC1CC(=O)N(OC(=O)C2CCC(CN3C(=O)C=CC3=O)CC2)C1=O.
What is the InChIKey of (3-amino-2,5-dioxopyrrolidin-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate?
The InChIKey is NTYVZNZMIAHDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O6/c17-11-7-14(22)19(15(11)23)25-16(24)10-3-1-9(2-4-10)8-18-12(20)5-6-13(18)21/h5-6,9-11H,1-4,7-8,17H2.
What are the key properties of (3-amino-2,5-dioxopyrrolidin-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate?
(3-amino-2,5-dioxopyrrolidin-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate has a molecular weight of 349.34 g/mol, XLogP of -0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2,5-dioxopyrrolidin-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 90273813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).