methyl 2-hydroxy-2-methyl-3-(2-methyl-3,5-dioxopiperazin-1-yl)propanoate

C10H16N2O5 — CID 66063553

IUPACmethyl 2-hydroxy-2-methyl-3-(2-methyl-3,5-dioxopiperazin-1-yl)propanoate
SMILESCOC(=O)C(C)(O)CN1CC(=O)NC(=O)C1C
InChIInChI=1S/C10H16N2O5/c1-6-8(14)11-7(13)4-12(6)5-10(2,16)9(15)17-3/h6,16H,4-5H2,1-3H3,(H,11,13,14)
InChIKeyFYYUZXLIUKYRFL-UHFFFAOYSA-N
MW244.25 g/mol
LogP-1.74
Rot. Bonds3

About methyl 2-hydroxy-2-methyl-3-(2-methyl-3,5-dioxopiperazin-1-yl)propanoate

methyl 2-hydroxy-2-methyl-3-(2-methyl-3,5-dioxopiperazin-1-yl)propanoate (PubChem CID 66063553) has the molecular formula C10H16N2O5 and a molecular weight of 244.25 g/mol. Its IUPAC name is methyl 2-hydroxy-2-methyl-3-(2-methyl-3,5-dioxopiperazin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-methyl-3-(2-methyl-3,5-dioxopiperazin-1-yl)propanoate
PubChem CID66063553
Molecular FormulaC10H16N2O5
Molecular Weight244.25 g/mol
Exact Mass244.11
IUPAC Namemethyl 2-hydroxy-2-methyl-3-(2-methyl-3,5-dioxopiperazin-1-yl)propanoate
SMILESCOC(=O)C(C)(O)CN1CC(=O)NC(=O)C1C
InChIInChI=1S/C10H16N2O5/c1-6-8(14)11-7(13)4-12(6)5-10(2,16)9(15)17-3/h6,16H,4-5H2,1-3H3,(H,11,13,14)
InChIKeyFYYUZXLIUKYRFL-UHFFFAOYSA-N
XLogP-1.74
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 5-1.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-methyl-3-(2-methyl-3,5-dioxopiperazin-1-yl)propanoate?
The IUPAC name of methyl 2-hydroxy-2-methyl-3-(2-methyl-3,5-dioxopiperazin-1-yl)propanoate (CID 66063553) is methyl 2-hydroxy-2-methyl-3-(2-methyl-3,5-dioxopiperazin-1-yl)propanoate.
What is the SMILES notation for methyl 2-hydroxy-2-methyl-3-(2-methyl-3,5-dioxopiperazin-1-yl)propanoate?
The canonical SMILES for methyl 2-hydroxy-2-methyl-3-(2-methyl-3,5-dioxopiperazin-1-yl)propanoate is COC(=O)C(C)(O)CN1CC(=O)NC(=O)C1C.
What is the InChIKey of methyl 2-hydroxy-2-methyl-3-(2-methyl-3,5-dioxopiperazin-1-yl)propanoate?
The InChIKey is FYYUZXLIUKYRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5/c1-6-8(14)11-7(13)4-12(6)5-10(2,16)9(15)17-3/h6,16H,4-5H2,1-3H3,(H,11,13,14).
What are the key properties of methyl 2-hydroxy-2-methyl-3-(2-methyl-3,5-dioxopiperazin-1-yl)propanoate?
methyl 2-hydroxy-2-methyl-3-(2-methyl-3,5-dioxopiperazin-1-yl)propanoate has a molecular weight of 244.25 g/mol, XLogP of -1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-methyl-3-(2-methyl-3,5-dioxopiperazin-1-yl)propanoate is sourced from PubChem (CID 66063553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).