ethyl 3-hydroxy-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]butanoate

C11H18N2O5 — CID 103255113

IUPACethyl 3-hydroxy-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]butanoate
SMILESCCOC(=O)CC(O)CNC1CC(=O)N(C)C1=O
InChIInChI=1S/C11H18N2O5/c1-3-18-10(16)4-7(14)6-12-8-5-9(15)13(2)11(8)17/h7-8,12,14H,3-6H2,1-2H3
InChIKeyUDVTXNREENNXEH-UHFFFAOYSA-N
MW258.27 g/mol
LogP-1.35
Rot. Bonds6

About ethyl 3-hydroxy-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]butanoate

ethyl 3-hydroxy-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]butanoate (PubChem CID 103255113) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is ethyl 3-hydroxy-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]butanoate.

Molecular Properties

Compound Nameethyl 3-hydroxy-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]butanoate
PubChem CID103255113
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Nameethyl 3-hydroxy-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]butanoate
SMILESCCOC(=O)CC(O)CNC1CC(=O)N(C)C1=O
InChIInChI=1S/C11H18N2O5/c1-3-18-10(16)4-7(14)6-12-8-5-9(15)13(2)11(8)17/h7-8,12,14H,3-6H2,1-2H3
InChIKeyUDVTXNREENNXEH-UHFFFAOYSA-N
XLogP-1.35
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-1.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 3-hydroxy-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]butanoate with MolForge

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Related Compounds

3-[(3-ethyl-2-hydroxypentyl)amino]-1-methylpyrrolidine-2,5-dione
CID 106285163
3-hydroxy-4-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]butanoic acid
CID 103255545
ethyl 3-hydroxy-4-[(2-oxopiperidin-3-yl)amino]butanoate
CID 103248566
ethyl 3-hydroxy-4-[(3-hydroxycyclobutyl)amino]butanoate
CID 103255881
ethyl 3-hydroxy-4-[(5-oxopyrrolidin-3-yl)amino]butanoate
CID 106190615
3-[(2-ethoxy-2-methylpropyl)amino]-1-methylpyrrolidine-2,5-dione
CID 114941623
1-methyl-3-(2-methylidenebutylamino)pyrrolidine-2,5-dione
CID 66046673
3-(6-hydroxyhexylamino)-1-methylpyrrolidine-2,5-dione
CID 107703458
3-methyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)butanamide
CID 58708342
N,2,2-trimethyl-3-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]propanamide
CID 114167202
ethyl 3-hydroxy-4-[(2-propan-2-ylcyclohexyl)amino]butanoate
CID 103261980
ethyl 4-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-hydroxybutanoate
CID 103251512

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]butanoate?
The IUPAC name of ethyl 3-hydroxy-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]butanoate (CID 103255113) is ethyl 3-hydroxy-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]butanoate.
What is the SMILES notation for ethyl 3-hydroxy-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]butanoate?
The canonical SMILES for ethyl 3-hydroxy-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]butanoate is CCOC(=O)CC(O)CNC1CC(=O)N(C)C1=O.
What is the InChIKey of ethyl 3-hydroxy-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]butanoate?
The InChIKey is UDVTXNREENNXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-3-18-10(16)4-7(14)6-12-8-5-9(15)13(2)11(8)17/h7-8,12,14H,3-6H2,1-2H3.
What are the key properties of ethyl 3-hydroxy-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]butanoate?
ethyl 3-hydroxy-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]butanoate has a molecular weight of 258.27 g/mol, XLogP of -1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]butanoate is sourced from PubChem (CID 103255113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).