(2,5-dioxopyrrolidin-1-yl)-methylcarbamic acid

C6H8N2O4 — CID 53302069

IUPAC(2,5-dioxopyrrolidin-1-yl)-methylcarbamic acid
SMILESCN(C(=O)O)N1C(=O)CCC1=O
InChIInChI=1S/C6H8N2O4/c1-7(6(11)12)8-4(9)2-3-5(8)10/h2-3H2,1H3,(H,11,12)
InChIKeyXNMDTRBCRPPMIY-UHFFFAOYSA-N
MW172.14 g/mol
LogP-0.34
Rot. Bonds1

About (2,5-dioxopyrrolidin-1-yl)-methylcarbamic acid

(2,5-dioxopyrrolidin-1-yl)-methylcarbamic acid (PubChem CID 53302069) has the molecular formula C6H8N2O4 and a molecular weight of 172.14 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl)-methylcarbamic acid.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl)-methylcarbamic acid
PubChem CID53302069
Molecular FormulaC6H8N2O4
Molecular Weight172.14 g/mol
Exact Mass172.05
IUPAC Name(2,5-dioxopyrrolidin-1-yl)-methylcarbamic acid
SMILESCN(C(=O)O)N1C(=O)CCC1=O
InChIInChI=1S/C6H8N2O4/c1-7(6(11)12)8-4(9)2-3-5(8)10/h2-3H2,1H3,(H,11,12)
InChIKeyXNMDTRBCRPPMIY-UHFFFAOYSA-N
XLogP-0.34
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.14
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl)-methylcarbamic acid?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl)-methylcarbamic acid (CID 53302069) is (2,5-dioxopyrrolidin-1-yl)-methylcarbamic acid.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl)-methylcarbamic acid?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl)-methylcarbamic acid is CN(C(=O)O)N1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl)-methylcarbamic acid?
The InChIKey is XNMDTRBCRPPMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O4/c1-7(6(11)12)8-4(9)2-3-5(8)10/h2-3H2,1H3,(H,11,12).
What are the key properties of (2,5-dioxopyrrolidin-1-yl)-methylcarbamic acid?
(2,5-dioxopyrrolidin-1-yl)-methylcarbamic acid has a molecular weight of 172.14 g/mol, XLogP of -0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl)-methylcarbamic acid is sourced from PubChem (CID 53302069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).