(4R)-3-methyl-2-oxoimidazolidine-4-carboxylic acid;(4S)-3-methyl-2-oxoimidazolidine-4-carboxylic acid

C10H16N4O6 — CID 159158543

IUPAC(4R)-3-methyl-2-oxoimidazolidine-4-carboxylic acid;(4S)-3-methyl-2-oxoimidazolidine-4-carboxylic acid
SMILESCN1C(=O)NC[C@@H]1C(=O)O.CN1C(=O)NC[C@H]1C(=O)O
InChIInChI=1S/2C5H8N2O3/c2*1-7-3(4(8)9)2-6-5(7)10/h2*3H,2H2,1H3,(H,6,10)(H,8,9)/t2*3-/m10/s1
InChIKeyKKEWOLIGIYXLIU-OASOTCBPSA-N
MW288.26 g/mol
LogP-1.81
Rot. Bonds2

About (4R)-3-methyl-2-oxoimidazolidine-4-carboxylic acid;(4S)-3-methyl-2-oxoimidazolidine-4-carboxylic acid

(4R)-3-methyl-2-oxoimidazolidine-4-carboxylic acid;(4S)-3-methyl-2-oxoimidazolidine-4-carboxylic acid (PubChem CID 159158543) has the molecular formula C10H16N4O6 and a molecular weight of 288.26 g/mol. Its IUPAC name is (4R)-3-methyl-2-oxoimidazolidine-4-carboxylic acid;(4S)-3-methyl-2-oxoimidazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-methyl-2-oxoimidazolidine-4-carboxylic acid;(4S)-3-methyl-2-oxoimidazolidine-4-carboxylic acid
PubChem CID159158543
Molecular FormulaC10H16N4O6
Molecular Weight288.26 g/mol
Exact Mass288.11
IUPAC Name(4R)-3-methyl-2-oxoimidazolidine-4-carboxylic acid;(4S)-3-methyl-2-oxoimidazolidine-4-carboxylic acid
SMILESCN1C(=O)NC[C@@H]1C(=O)O.CN1C(=O)NC[C@H]1C(=O)O
InChIInChI=1S/2C5H8N2O3/c2*1-7-3(4(8)9)2-6-5(7)10/h2*3H,2H2,1H3,(H,6,10)(H,8,9)/t2*3-/m10/s1
InChIKeyKKEWOLIGIYXLIU-OASOTCBPSA-N
XLogP-1.81
TPSA139.28 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 5-1.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (4R)-3-methyl-2-oxoimidazolidine-4-carboxylic acid;(4S)-3-methyl-2-oxoimidazolidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-3-methyl-2-oxoimidazolidine-4-carboxylic acid;(4S)-3-methyl-2-oxoimidazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-methyl-2-oxoimidazolidine-4-carboxylic acid;(4S)-3-methyl-2-oxoimidazolidine-4-carboxylic acid (CID 159158543) is (4R)-3-methyl-2-oxoimidazolidine-4-carboxylic acid;(4S)-3-methyl-2-oxoimidazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-methyl-2-oxoimidazolidine-4-carboxylic acid;(4S)-3-methyl-2-oxoimidazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-methyl-2-oxoimidazolidine-4-carboxylic acid;(4S)-3-methyl-2-oxoimidazolidine-4-carboxylic acid is CN1C(=O)NC[C@@H]1C(=O)O.CN1C(=O)NC[C@H]1C(=O)O.
What is the InChIKey of (4R)-3-methyl-2-oxoimidazolidine-4-carboxylic acid;(4S)-3-methyl-2-oxoimidazolidine-4-carboxylic acid?
The InChIKey is KKEWOLIGIYXLIU-OASOTCBPSA-N. The full InChI is InChI=1S/2C5H8N2O3/c2*1-7-3(4(8)9)2-6-5(7)10/h2*3H,2H2,1H3,(H,6,10)(H,8,9)/t2*3-/m10/s1.
What are the key properties of (4R)-3-methyl-2-oxoimidazolidine-4-carboxylic acid;(4S)-3-methyl-2-oxoimidazolidine-4-carboxylic acid?
(4R)-3-methyl-2-oxoimidazolidine-4-carboxylic acid;(4S)-3-methyl-2-oxoimidazolidine-4-carboxylic acid has a molecular weight of 288.26 g/mol, XLogP of -1.81, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-methyl-2-oxoimidazolidine-4-carboxylic acid;(4S)-3-methyl-2-oxoimidazolidine-4-carboxylic acid is sourced from PubChem (CID 159158543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).