4-oxoimidazolidine-2-carboxylic acid

C4H6N2O3 — CID 23129695

IUPAC4-oxoimidazolidine-2-carboxylic acid
SMILESO=C1CNC(C(=O)O)N1
InChIInChI=1S/C4H6N2O3/c7-2-1-5-3(6-2)4(8)9/h3,5H,1H2,(H,6,7)(H,8,9)
InChIKeyGKVKQUTZPFMKCN-UHFFFAOYSA-N
MW130.10 g/mol
LogP-1.88
Rot. Bonds1

About 4-oxoimidazolidine-2-carboxylic acid

4-oxoimidazolidine-2-carboxylic acid (PubChem CID 23129695) has the molecular formula C4H6N2O3 and a molecular weight of 130.10 g/mol. Its IUPAC name is 4-oxoimidazolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-oxoimidazolidine-2-carboxylic acid
PubChem CID23129695
Molecular FormulaC4H6N2O3
Molecular Weight130.10 g/mol
Exact Mass130.04
IUPAC Name4-oxoimidazolidine-2-carboxylic acid
SMILESO=C1CNC(C(=O)O)N1
InChIInChI=1S/C4H6N2O3/c7-2-1-5-3(6-2)4(8)9/h3,5H,1H2,(H,6,7)(H,8,9)
InChIKeyGKVKQUTZPFMKCN-UHFFFAOYSA-N
XLogP-1.88
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.10
LogP ≤ 5-1.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-Dioxoimidazolidin-1-yl)acetic acid
CID 2512552
2-(2,4-Dioxoimidazolidin-1-yl)acetic acid
CID 3159673
2-(2-oxoimidazolidin-1-yl)acetic Acid
CID 1133461
2-[(2R)-2-(aminomethyl)-2-hydroxy-4,5-dioxoimidazolidin-1-yl]acetic acid
CID 131704182
(2-Ureido-acetylamino)-acetic acid
CID 1745634
(5-Oxo-2-thioxo-1-imidazolidinyl)acetic acid
CID 12701481
Imidazolidine-2-carboxylic acid
CID 13419879
2-Amino-1-imidazolidineacetic acid
CID 21198653
Hydantoin acetic acid
CID 68424332
(2,5-Dioxoimidazolidin-4-yl)carbamic acid
CID 5316927
Methyl imidazolidin-4-one-2-carboxylate
CID 129653833
2-(2,5-Dioxoimidazolidin-1-yl)-2-fluoroacetic acid
CID 81298563

Frequently Asked Questions

What is the IUPAC name of 4-oxoimidazolidine-2-carboxylic acid?
The IUPAC name of 4-oxoimidazolidine-2-carboxylic acid (CID 23129695) is 4-oxoimidazolidine-2-carboxylic acid.
What is the SMILES notation for 4-oxoimidazolidine-2-carboxylic acid?
The canonical SMILES for 4-oxoimidazolidine-2-carboxylic acid is O=C1CNC(C(=O)O)N1.
What is the InChIKey of 4-oxoimidazolidine-2-carboxylic acid?
The InChIKey is GKVKQUTZPFMKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O3/c7-2-1-5-3(6-2)4(8)9/h3,5H,1H2,(H,6,7)(H,8,9).
What are the key properties of 4-oxoimidazolidine-2-carboxylic acid?
4-oxoimidazolidine-2-carboxylic acid has a molecular weight of 130.10 g/mol, XLogP of -1.88, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxoimidazolidine-2-carboxylic acid is sourced from PubChem (CID 23129695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).