(2,5-dioxoimidazolidin-4-yl)carbamic acid

C4H5N3O4 — CID 5316927

IUPAC(2,5-dioxoimidazolidin-4-yl)carbamic acid
SMILESO=C(O)NC1NC(=O)NC1=O
InChIInChI=1S/C4H5N3O4/c8-2-1(6-4(10)11)5-3(9)7-2/h1,6H,(H,10,11)(H2,5,7,8,9)
InChIKeyZVPZUQFSFYTXRC-UHFFFAOYSA-N
MW159.10 g/mol
LogP-1.58
Rot. Bonds1

About (2,5-dioxoimidazolidin-4-yl)carbamic acid

(2,5-dioxoimidazolidin-4-yl)carbamic acid (PubChem CID 5316927) has the molecular formula C4H5N3O4 and a molecular weight of 159.10 g/mol. Its IUPAC name is (2,5-dioxoimidazolidin-4-yl)carbamic acid.

Molecular Properties

Compound Name(2,5-dioxoimidazolidin-4-yl)carbamic acid
PubChem CID5316927
Molecular FormulaC4H5N3O4
Molecular Weight159.10 g/mol
Exact Mass159.03
IUPAC Name(2,5-dioxoimidazolidin-4-yl)carbamic acid
SMILESO=C(O)NC1NC(=O)NC1=O
InChIInChI=1S/C4H5N3O4/c8-2-1(6-4(10)11)5-3(9)7-2/h1,6H,(H,10,11)(H2,5,7,8,9)
InChIKeyZVPZUQFSFYTXRC-UHFFFAOYSA-N
XLogP-1.58
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.10
LogP ≤ 5-1.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Allantoin
CID 204
Hydantoin
CID 10006
Allantoin, (R)-
CID 439713
(S)-(+)-allantoin
CID 439714
2-(2,5-Dioxoimidazolidin-1-yl)acetic acid
CID 2512552
2-(2,4-Dioxoimidazolidin-1-yl)acetic acid
CID 3159673
2-[(2R)-2-(aminomethyl)-2-hydroxy-4,5-dioxoimidazolidin-1-yl]acetic acid
CID 131704182
1-(2,5-Dioxoimidazolidin-4-yl)-3-(hydroxymethyl)urea
CID 284833
DL-Allantoin-5-13C,1-15N
CID 71309133
5-Aminoimidazolidine-2,4-dione
CID 13953815
4-Oxoimidazolidine-2-carboxylic acid
CID 23129695
Imidazolidine-2,4-dione;propanoic acid
CID 66995748

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxoimidazolidin-4-yl)carbamic acid?
The IUPAC name of (2,5-dioxoimidazolidin-4-yl)carbamic acid (CID 5316927) is (2,5-dioxoimidazolidin-4-yl)carbamic acid.
What is the SMILES notation for (2,5-dioxoimidazolidin-4-yl)carbamic acid?
The canonical SMILES for (2,5-dioxoimidazolidin-4-yl)carbamic acid is O=C(O)NC1NC(=O)NC1=O.
What is the InChIKey of (2,5-dioxoimidazolidin-4-yl)carbamic acid?
The InChIKey is ZVPZUQFSFYTXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O4/c8-2-1(6-4(10)11)5-3(9)7-2/h1,6H,(H,10,11)(H2,5,7,8,9).
What are the key properties of (2,5-dioxoimidazolidin-4-yl)carbamic acid?
(2,5-dioxoimidazolidin-4-yl)carbamic acid has a molecular weight of 159.10 g/mol, XLogP of -1.58, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxoimidazolidin-4-yl)carbamic acid is sourced from PubChem (CID 5316927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).