2-[(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl)amino]-3-methylbutanoic acid

C15H24N2O4 — CID 43638689

IUPAC2-[(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl)amino]-3-methylbutanoic acid
SMILESCC(C)C(NC1CC(=O)N(C2CCCCC2)C1=O)C(=O)O
InChIInChI=1S/C15H24N2O4/c1-9(2)13(15(20)21)16-11-8-12(18)17(14(11)19)10-6-4-3-5-7-10/h9-11,13,16H,3-8H2,1-2H3,(H,20,21)
InChIKeyIOHRNFVSEVLLTN-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.15
Rot. Bonds5

About 2-[(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl)amino]-3-methylbutanoic acid

2-[(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl)amino]-3-methylbutanoic acid (PubChem CID 43638689) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl)amino]-3-methylbutanoic acid
PubChem CID43638689
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name2-[(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl)amino]-3-methylbutanoic acid
SMILESCC(C)C(NC1CC(=O)N(C2CCCCC2)C1=O)C(=O)O
InChIInChI=1S/C15H24N2O4/c1-9(2)13(15(20)21)16-11-8-12(18)17(14(11)19)10-6-4-3-5-7-10/h9-11,13,16H,3-8H2,1-2H3,(H,20,21)
InChIKeyIOHRNFVSEVLLTN-UHFFFAOYSA-N
XLogP1.15
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl)amino]-3-methylbutanoic acid 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

2-[(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl)amino]-2-cyclopropylacetic acid
CID 62695219
3-(but-3-yn-2-ylamino)-1-cycloheptylpyrrolidine-2,5-dione
CID 114416373
1-cyclopropyl-3-(propan-2-ylamino)pyrrolidine-2,5-dione
CID 43636083
1-cyclopropyl-3-(3-methylbutan-2-ylamino)pyrrolidine-2,5-dione
CID 43636669
1-cyclopentyl-3-(1-methylsulfonylpropan-2-ylamino)pyrrolidine-2,5-dione
CID 64631620
1-cyclopentyl-3-(hexan-2-ylamino)pyrrolidine-2,5-dione
CID 62198551
1-cycloheptyl-3-(3-methylbut-2-enylamino)pyrrolidine-2,5-dione
CID 106188046
2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]-3-methylbutanoic acid
CID 43638681
2-[(1-cycloheptyl-2,5-dioxopyrrolidin-3-yl)amino]acetamide
CID 43637319
1-cyclohexyl-3-[(1-methylcyclopropyl)amino]pyrrolidine-2,5-dione
CID 113485379
1-cyclopentyl-3-(octan-4-ylamino)pyrrolidine-2,5-dione
CID 106024203
2-[(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)amino]-2-methylbutanoic acid
CID 79788639

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl)amino]-3-methylbutanoic acid?
The IUPAC name of 2-[(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl)amino]-3-methylbutanoic acid (CID 43638689) is 2-[(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl)amino]-3-methylbutanoic acid.
What is the SMILES notation for 2-[(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl)amino]-3-methylbutanoic acid?
The canonical SMILES for 2-[(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl)amino]-3-methylbutanoic acid is CC(C)C(NC1CC(=O)N(C2CCCCC2)C1=O)C(=O)O.
What is the InChIKey of 2-[(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl)amino]-3-methylbutanoic acid?
The InChIKey is IOHRNFVSEVLLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-9(2)13(15(20)21)16-11-8-12(18)17(14(11)19)10-6-4-3-5-7-10/h9-11,13,16H,3-8H2,1-2H3,(H,20,21).
What are the key properties of 2-[(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl)amino]-3-methylbutanoic acid?
2-[(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl)amino]-3-methylbutanoic acid has a molecular weight of 296.37 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 43638689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).