N,3-bis(2-amino-2-oxoethyl)-2,4-dioxoimidazolidine-1-carboxamide

C8H11N5O5 — CID 155490275

IUPACN,3-bis(2-amino-2-oxoethyl)-2,4-dioxoimidazolidine-1-carboxamide
SMILESNC(=O)CNC(=O)N1CC(=O)N(CC(N)=O)C1=O
InChIInChI=1S/C8H11N5O5/c9-4(14)1-11-7(17)13-3-6(16)12(8(13)18)2-5(10)15/h1-3H2,(H2,9,14)(H2,10,15)(H,11,17)
InChIKeyDUNQVBFNVAQBKK-UHFFFAOYSA-N
MW257.21 g/mol
LogP-3.07
Rot. Bonds4

About N,3-bis(2-amino-2-oxoethyl)-2,4-dioxoimidazolidine-1-carboxamide

N,3-bis(2-amino-2-oxoethyl)-2,4-dioxoimidazolidine-1-carboxamide (PubChem CID 155490275) has the molecular formula C8H11N5O5 and a molecular weight of 257.21 g/mol. Its IUPAC name is N,3-bis(2-amino-2-oxoethyl)-2,4-dioxoimidazolidine-1-carboxamide.

Molecular Properties

Compound NameN,3-bis(2-amino-2-oxoethyl)-2,4-dioxoimidazolidine-1-carboxamide
PubChem CID155490275
Molecular FormulaC8H11N5O5
Molecular Weight257.21 g/mol
Exact Mass257.08
IUPAC NameN,3-bis(2-amino-2-oxoethyl)-2,4-dioxoimidazolidine-1-carboxamide
SMILESNC(=O)CNC(=O)N1CC(=O)N(CC(N)=O)C1=O
InChIInChI=1S/C8H11N5O5/c9-4(14)1-11-7(17)13-3-6(16)12(8(13)18)2-5(10)15/h1-3H2,(H2,9,14)(H2,10,15)(H,11,17)
InChIKeyDUNQVBFNVAQBKK-UHFFFAOYSA-N
XLogP-3.07
TPSA155.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 5-3.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,3-bis(2-amino-2-oxoethyl)-2,4-dioxoimidazolidine-1-carboxamide?
The IUPAC name of N,3-bis(2-amino-2-oxoethyl)-2,4-dioxoimidazolidine-1-carboxamide (CID 155490275) is N,3-bis(2-amino-2-oxoethyl)-2,4-dioxoimidazolidine-1-carboxamide.
What is the SMILES notation for N,3-bis(2-amino-2-oxoethyl)-2,4-dioxoimidazolidine-1-carboxamide?
The canonical SMILES for N,3-bis(2-amino-2-oxoethyl)-2,4-dioxoimidazolidine-1-carboxamide is NC(=O)CNC(=O)N1CC(=O)N(CC(N)=O)C1=O.
What is the InChIKey of N,3-bis(2-amino-2-oxoethyl)-2,4-dioxoimidazolidine-1-carboxamide?
The InChIKey is DUNQVBFNVAQBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O5/c9-4(14)1-11-7(17)13-3-6(16)12(8(13)18)2-5(10)15/h1-3H2,(H2,9,14)(H2,10,15)(H,11,17).
What are the key properties of N,3-bis(2-amino-2-oxoethyl)-2,4-dioxoimidazolidine-1-carboxamide?
N,3-bis(2-amino-2-oxoethyl)-2,4-dioxoimidazolidine-1-carboxamide has a molecular weight of 257.21 g/mol, XLogP of -3.07, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-bis(2-amino-2-oxoethyl)-2,4-dioxoimidazolidine-1-carboxamide is sourced from PubChem (CID 155490275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).