(2,5-dioxopyrrolidin-1-yl) N-hydroxycarbamate

C5H6N2O5 — CID 87500433

IUPAC(2,5-dioxopyrrolidin-1-yl) N-hydroxycarbamate
SMILESO=C(NO)ON1C(=O)CCC1=O
InChIInChI=1S/C5H6N2O5/c8-3-1-2-4(9)7(3)12-5(10)6-11/h11H,1-2H2,(H,6,10)
InChIKeyIZRTZBCPRHBZRT-UHFFFAOYSA-N
MW174.11 g/mol
LogP-0.83
Rot. Bonds1

About (2,5-dioxopyrrolidin-1-yl) N-hydroxycarbamate

(2,5-dioxopyrrolidin-1-yl) N-hydroxycarbamate (PubChem CID 87500433) has the molecular formula C5H6N2O5 and a molecular weight of 174.11 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) N-hydroxycarbamate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) N-hydroxycarbamate
PubChem CID87500433
Molecular FormulaC5H6N2O5
Molecular Weight174.11 g/mol
Exact Mass174.03
IUPAC Name(2,5-dioxopyrrolidin-1-yl) N-hydroxycarbamate
SMILESO=C(NO)ON1C(=O)CCC1=O
InChIInChI=1S/C5H6N2O5/c8-3-1-2-4(9)7(3)12-5(10)6-11/h11H,1-2H2,(H,6,10)
InChIKeyIZRTZBCPRHBZRT-UHFFFAOYSA-N
XLogP-0.83
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.11
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis(bis(2,5-dioxopyrrolidin-1-yl) carbonate);carbonic acid
CID 174941778
(2,5-dioxopyrrolidin-1-yl) 2,2,2-trifluoroacetate
CID 10867564
bis(2,5-dioxopyrrolidin-1-yl) (Z)-but-2-enedioate
CID 121006912
(2,5-dioxopyrrolidin-1-yl) 2-oxoacetate
CID 58362051
(2,5-dioxopyrrolidin-1-yl) carbamate;molecular hydrogen
CID 177137018
(2,5-dioxopyrrolidin-1-yl) N-(2-fluorophenyl)carbamate
CID 71383197
(2,5-dioxopyrrolidin-1-yl) hydrogen carbonate;ethane-1,2-diol
CID 87408657
(2,5-dioxopyrrolidin-1-yl) propanoate
CID 171533530
5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-(hydroxyamino)-2-oxoethyl] pentanedioate
CID 87746773
(2,5-dioxopyrrolidin-1-yl) N-(2-methyl-1-propan-2-yloxypropan-2-yl)carbamate
CID 139347516
(2,5-dioxopyrrolidin-1-yl) N-[3-methyl-2-(methylamino)butyl]carbamate
CID 21030159
(2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrolidin-1-yl)acetate
CID 89197439

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) N-hydroxycarbamate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) N-hydroxycarbamate (CID 87500433) is (2,5-dioxopyrrolidin-1-yl) N-hydroxycarbamate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) N-hydroxycarbamate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) N-hydroxycarbamate is O=C(NO)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) N-hydroxycarbamate?
The InChIKey is IZRTZBCPRHBZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O5/c8-3-1-2-4(9)7(3)12-5(10)6-11/h11H,1-2H2,(H,6,10).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) N-hydroxycarbamate?
(2,5-dioxopyrrolidin-1-yl) N-hydroxycarbamate has a molecular weight of 174.11 g/mol, XLogP of -0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) N-hydroxycarbamate is sourced from PubChem (CID 87500433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).