1-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoylamino]cyclobutane-1-carboxylic acid

C11H15N3O5 — CID 81163344

IUPAC1-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoylamino]cyclobutane-1-carboxylic acid
SMILESCN1C(=O)CC(NC(=O)NC2(C(=O)O)CCC2)C1=O
InChIInChI=1S/C11H15N3O5/c1-14-7(15)5-6(8(14)16)12-10(19)13-11(9(17)18)3-2-4-11/h6H,2-5H2,1H3,(H,17,18)(H2,12,13,19)
InChIKeyHZBNXEIHQOUYBS-UHFFFAOYSA-N
MW269.26 g/mol
LogP-0.95
Rot. Bonds3

About 1-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoylamino]cyclobutane-1-carboxylic acid

1-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoylamino]cyclobutane-1-carboxylic acid (PubChem CID 81163344) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 1-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoylamino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoylamino]cyclobutane-1-carboxylic acid
PubChem CID81163344
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name1-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoylamino]cyclobutane-1-carboxylic acid
SMILESCN1C(=O)CC(NC(=O)NC2(C(=O)O)CCC2)C1=O
InChIInChI=1S/C11H15N3O5/c1-14-7(15)5-6(8(14)16)12-10(19)13-11(9(17)18)3-2-4-11/h6H,2-5H2,1H3,(H,17,18)(H2,12,13,19)
InChIKeyHZBNXEIHQOUYBS-UHFFFAOYSA-N
XLogP-0.95
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-0.95
H-Bond Donors ≤ 53
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-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoylamino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoylamino]cyclobutane-1-carboxylic acid (CID 81163344) is 1-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoylamino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoylamino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoylamino]cyclobutane-1-carboxylic acid is CN1C(=O)CC(NC(=O)NC2(C(=O)O)CCC2)C1=O.
What is the InChIKey of 1-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoylamino]cyclobutane-1-carboxylic acid?
The InChIKey is HZBNXEIHQOUYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-14-7(15)5-6(8(14)16)12-10(19)13-11(9(17)18)3-2-4-11/h6H,2-5H2,1H3,(H,17,18)(H2,12,13,19).
What are the key properties of 1-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoylamino]cyclobutane-1-carboxylic acid?
1-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoylamino]cyclobutane-1-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of -0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoylamino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81163344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).