3-[(2R,3S)-3-[[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]methyl]oxiran-2-yl]propanoic acid

C10H16N2O4 — CID 10633100

IUPAC3-[(2R,3S)-3-[[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]methyl]oxiran-2-yl]propanoic acid
SMILESC[C@@H]1NC(=O)N[C@@H]1C[C@@H]1O[C@@H]1CCC(=O)O
InChIInChI=1S/C10H16N2O4/c1-5-6(12-10(15)11-5)4-8-7(16-8)2-3-9(13)14/h5-8H,2-4H2,1H3,(H,13,14)(H2,11,12,15)/t5-,6+,7+,8-/m0/s1
InChIKeyTVMLEBKYZKSVGJ-OSMVPFSASA-N
MW228.25 g/mol
LogP0.08
Rot. Bonds5

About 3-[(2R,3S)-3-[[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]methyl]oxiran-2-yl]propanoic acid

3-[(2R,3S)-3-[[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]methyl]oxiran-2-yl]propanoic acid (PubChem CID 10633100) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 3-[(2R,3S)-3-[[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]methyl]oxiran-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[(2R,3S)-3-[[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]methyl]oxiran-2-yl]propanoic acid
PubChem CID10633100
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name3-[(2R,3S)-3-[[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]methyl]oxiran-2-yl]propanoic acid
SMILESC[C@@H]1NC(=O)N[C@@H]1C[C@@H]1O[C@@H]1CCC(=O)O
InChIInChI=1S/C10H16N2O4/c1-5-6(12-10(15)11-5)4-8-7(16-8)2-3-9(13)14/h5-8H,2-4H2,1H3,(H,13,14)(H2,11,12,15)/t5-,6+,7+,8-/m0/s1
InChIKeyTVMLEBKYZKSVGJ-OSMVPFSASA-N
XLogP0.08
TPSA90.96 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

5-[(4S,5S)-5-methyl-2-oxoimidazolidin-4-yl]pentanoic acid
CID 2054868
4-methyl-5-(6-oxoheptyl)imidazolidin-2-one
CID 155283579
ethane-1,2-diol;3-(3-ethyloxiran-2-yl)propanoic acid
CID 174940719
6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoate
CID 25244917
4-ethyl-5-methylimidazolidin-2-one
CID 22042260
methyl 5-(5-methyl-2-oxoimidazolidin-4-yl)pentanoate
CID 101336229
(4S,5S)-4-(methoxymethyl)-5-methylimidazolidin-2-one
CID 134483812
CID 73212702
CID 73212702
4-methyl-5-(18-methyl-6-oxononadecyl)imidazolidin-2-one
CID 167640123
8-[(3R)-3-(7-carboxyheptyl)oxiran-2-yl]octanoic acid
CID 87164539
4-(aminosulfanylmethyl)-5-methylimidazolidin-2-one
CID 163839041
N-(3,5-dimethylphenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide
CID 5305481

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,3S)-3-[[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]methyl]oxiran-2-yl]propanoic acid?
The IUPAC name of 3-[(2R,3S)-3-[[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]methyl]oxiran-2-yl]propanoic acid (CID 10633100) is 3-[(2R,3S)-3-[[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]methyl]oxiran-2-yl]propanoic acid.
What is the SMILES notation for 3-[(2R,3S)-3-[[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]methyl]oxiran-2-yl]propanoic acid?
The canonical SMILES for 3-[(2R,3S)-3-[[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]methyl]oxiran-2-yl]propanoic acid is C[C@@H]1NC(=O)N[C@@H]1C[C@@H]1O[C@@H]1CCC(=O)O.
What is the InChIKey of 3-[(2R,3S)-3-[[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]methyl]oxiran-2-yl]propanoic acid?
The InChIKey is TVMLEBKYZKSVGJ-OSMVPFSASA-N. The full InChI is InChI=1S/C10H16N2O4/c1-5-6(12-10(15)11-5)4-8-7(16-8)2-3-9(13)14/h5-8H,2-4H2,1H3,(H,13,14)(H2,11,12,15)/t5-,6+,7+,8-/m0/s1.
What are the key properties of 3-[(2R,3S)-3-[[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]methyl]oxiran-2-yl]propanoic acid?
3-[(2R,3S)-3-[[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]methyl]oxiran-2-yl]propanoic acid has a molecular weight of 228.25 g/mol, XLogP of 0.08, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,3S)-3-[[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]methyl]oxiran-2-yl]propanoic acid is sourced from PubChem (CID 10633100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).