[butanoyl(formyl)amino] (2,5-dioxopyrrolidin-1-yl) carbonate

C10H12N2O7 — CID 129310243

IUPAC[butanoyl(formyl)amino] (2,5-dioxopyrrolidin-1-yl) carbonate
SMILESCCCC(=O)N(C=O)OC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C10H12N2O7/c1-2-3-7(14)11(6-13)18-10(17)19-12-8(15)4-5-9(12)16/h6H,2-5H2,1H3
InChIKeyAAXZBKBLMBSNSX-UHFFFAOYSA-N
MW272.21 g/mol
LogP-0.10
Rot. Bonds4

About [butanoyl(formyl)amino] (2,5-dioxopyrrolidin-1-yl) carbonate

[butanoyl(formyl)amino] (2,5-dioxopyrrolidin-1-yl) carbonate (PubChem CID 129310243) has the molecular formula C10H12N2O7 and a molecular weight of 272.21 g/mol. Its IUPAC name is [butanoyl(formyl)amino] (2,5-dioxopyrrolidin-1-yl) carbonate.

Molecular Properties

Compound Name[butanoyl(formyl)amino] (2,5-dioxopyrrolidin-1-yl) carbonate
PubChem CID129310243
Molecular FormulaC10H12N2O7
Molecular Weight272.21 g/mol
Exact Mass272.06
IUPAC Name[butanoyl(formyl)amino] (2,5-dioxopyrrolidin-1-yl) carbonate
SMILESCCCC(=O)N(C=O)OC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C10H12N2O7/c1-2-3-7(14)11(6-13)18-10(17)19-12-8(15)4-5-9(12)16/h6H,2-5H2,1H3
InChIKeyAAXZBKBLMBSNSX-UHFFFAOYSA-N
XLogP-0.10
TPSA110.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.21
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-O-[butanoyl(formyl)amino] 3-O-(2,5-dioxopyrrolidin-1-yl) cyclobutane-1,3-dicarboxylate
CID 146640529
[butanoyl(formyl)amino] 2-aminoacetate
CID 142359847
N-formyl-N-methoxybutanamide
CID 89360816
(2,5-dioxopyrrolidin-1-yl)oxycarbonyl heptadecanoate
CID 87411738
bis(bis(2,5-dioxopyrrolidin-1-yl) carbonate);carbonic acid
CID 174941778
(2,5-dioxopyrrolidin-1-yl) propanoate
CID 171533530
(2,5-dioxopyrrolidin-1-yl) pentadecanoate
CID 13377057
(2,5-dioxopyrrolidin-1-yl) 2-methoxyethyl carbonate
CID 59130156
[butanoyl(formyl)amino] 4-(methylamino)butanoate
CID 155461543
(2,5-dioxopyrrolidin-1-yl) 3-ethoxypropanoate;methane
CID 158347666
(2-oxo-5-sulfanylidenepyrrolidin-1-yl) butanoate
CID 141124175
1-O-(2,5-dioxopyrrolidin-1-yl) 11-O-[methyl(4-oxobutanoyl)amino] undecanedioate
CID 126540985

Frequently Asked Questions

What is the IUPAC name of [butanoyl(formyl)amino] (2,5-dioxopyrrolidin-1-yl) carbonate?
The IUPAC name of [butanoyl(formyl)amino] (2,5-dioxopyrrolidin-1-yl) carbonate (CID 129310243) is [butanoyl(formyl)amino] (2,5-dioxopyrrolidin-1-yl) carbonate.
What is the SMILES notation for [butanoyl(formyl)amino] (2,5-dioxopyrrolidin-1-yl) carbonate?
The canonical SMILES for [butanoyl(formyl)amino] (2,5-dioxopyrrolidin-1-yl) carbonate is CCCC(=O)N(C=O)OC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of [butanoyl(formyl)amino] (2,5-dioxopyrrolidin-1-yl) carbonate?
The InChIKey is AAXZBKBLMBSNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O7/c1-2-3-7(14)11(6-13)18-10(17)19-12-8(15)4-5-9(12)16/h6H,2-5H2,1H3.
What are the key properties of [butanoyl(formyl)amino] (2,5-dioxopyrrolidin-1-yl) carbonate?
[butanoyl(formyl)amino] (2,5-dioxopyrrolidin-1-yl) carbonate has a molecular weight of 272.21 g/mol, XLogP of -0.10, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [butanoyl(formyl)amino] (2,5-dioxopyrrolidin-1-yl) carbonate is sourced from PubChem (CID 129310243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).