[1-(2,5-dioxopyrrolidin-1-yl)-2-methyl-1-oxopropan-2-yl]carbamic acid

C9H12N2O5 — CID 71060223

IUPAC[1-(2,5-dioxopyrrolidin-1-yl)-2-methyl-1-oxopropan-2-yl]carbamic acid
SMILESCC(C)(NC(=O)O)C(=O)N1C(=O)CCC1=O
InChIInChI=1S/C9H12N2O5/c1-9(2,10-8(15)16)7(14)11-5(12)3-4-6(11)13/h10H,3-4H2,1-2H3,(H,15,16)
InChIKeyDGFVMDXASVGAMV-UHFFFAOYSA-N
MW228.20 g/mol
LogP-0.29
Rot. Bonds2

About [1-(2,5-dioxopyrrolidin-1-yl)-2-methyl-1-oxopropan-2-yl]carbamic acid

[1-(2,5-dioxopyrrolidin-1-yl)-2-methyl-1-oxopropan-2-yl]carbamic acid (PubChem CID 71060223) has the molecular formula C9H12N2O5 and a molecular weight of 228.20 g/mol. Its IUPAC name is [1-(2,5-dioxopyrrolidin-1-yl)-2-methyl-1-oxopropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-(2,5-dioxopyrrolidin-1-yl)-2-methyl-1-oxopropan-2-yl]carbamic acid
PubChem CID71060223
Molecular FormulaC9H12N2O5
Molecular Weight228.20 g/mol
Exact Mass228.07
IUPAC Name[1-(2,5-dioxopyrrolidin-1-yl)-2-methyl-1-oxopropan-2-yl]carbamic acid
SMILESCC(C)(NC(=O)O)C(=O)N1C(=O)CCC1=O
InChIInChI=1S/C9H12N2O5/c1-9(2,10-8(15)16)7(14)11-5(12)3-4-6(11)13/h10H,3-4H2,1-2H3,(H,15,16)
InChIKeyDGFVMDXASVGAMV-UHFFFAOYSA-N
XLogP-0.29
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dioxopyrrolidin-1-yl)-2-methyl-1-oxopropan-2-yl]carbamic acid?
The IUPAC name of [1-(2,5-dioxopyrrolidin-1-yl)-2-methyl-1-oxopropan-2-yl]carbamic acid (CID 71060223) is [1-(2,5-dioxopyrrolidin-1-yl)-2-methyl-1-oxopropan-2-yl]carbamic acid.
What is the SMILES notation for [1-(2,5-dioxopyrrolidin-1-yl)-2-methyl-1-oxopropan-2-yl]carbamic acid?
The canonical SMILES for [1-(2,5-dioxopyrrolidin-1-yl)-2-methyl-1-oxopropan-2-yl]carbamic acid is CC(C)(NC(=O)O)C(=O)N1C(=O)CCC1=O.
What is the InChIKey of [1-(2,5-dioxopyrrolidin-1-yl)-2-methyl-1-oxopropan-2-yl]carbamic acid?
The InChIKey is DGFVMDXASVGAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O5/c1-9(2,10-8(15)16)7(14)11-5(12)3-4-6(11)13/h10H,3-4H2,1-2H3,(H,15,16).
What are the key properties of [1-(2,5-dioxopyrrolidin-1-yl)-2-methyl-1-oxopropan-2-yl]carbamic acid?
[1-(2,5-dioxopyrrolidin-1-yl)-2-methyl-1-oxopropan-2-yl]carbamic acid has a molecular weight of 228.20 g/mol, XLogP of -0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-dioxopyrrolidin-1-yl)-2-methyl-1-oxopropan-2-yl]carbamic acid is sourced from PubChem (CID 71060223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).