3-[(4S)-4-(2-methylpropyl)-5-oxoimidazolidin-2-yl]propanoic acid

C10H18N2O3 — CID 67886314

IUPAC3-[(4S)-4-(2-methylpropyl)-5-oxoimidazolidin-2-yl]propanoic acid
SMILESCC(C)C[C@@H]1NC(CCC(=O)O)NC1=O
InChIInChI=1S/C10H18N2O3/c1-6(2)5-7-10(15)12-8(11-7)3-4-9(13)14/h6-8,11H,3-5H2,1-2H3,(H,12,15)(H,13,14)/t7-,8?/m0/s1
InChIKeyZZQYMGOQMNOPAK-JAMMHHFISA-N
MW214.26 g/mol
LogP0.31
Rot. Bonds5

About 3-[(4S)-4-(2-methylpropyl)-5-oxoimidazolidin-2-yl]propanoic acid

3-[(4S)-4-(2-methylpropyl)-5-oxoimidazolidin-2-yl]propanoic acid (PubChem CID 67886314) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 3-[(4S)-4-(2-methylpropyl)-5-oxoimidazolidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[(4S)-4-(2-methylpropyl)-5-oxoimidazolidin-2-yl]propanoic acid
PubChem CID67886314
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name3-[(4S)-4-(2-methylpropyl)-5-oxoimidazolidin-2-yl]propanoic acid
SMILESCC(C)C[C@@H]1NC(CCC(=O)O)NC1=O
InChIInChI=1S/C10H18N2O3/c1-6(2)5-7-10(15)12-8(11-7)3-4-9(13)14/h6-8,11H,3-5H2,1-2H3,(H,12,15)(H,13,14)/t7-,8?/m0/s1
InChIKeyZZQYMGOQMNOPAK-JAMMHHFISA-N
XLogP0.31
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4S)-4-(2-methylpropyl)-5-oxoimidazolidin-2-yl]propanoic acid?
The IUPAC name of 3-[(4S)-4-(2-methylpropyl)-5-oxoimidazolidin-2-yl]propanoic acid (CID 67886314) is 3-[(4S)-4-(2-methylpropyl)-5-oxoimidazolidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[(4S)-4-(2-methylpropyl)-5-oxoimidazolidin-2-yl]propanoic acid?
The canonical SMILES for 3-[(4S)-4-(2-methylpropyl)-5-oxoimidazolidin-2-yl]propanoic acid is CC(C)C[C@@H]1NC(CCC(=O)O)NC1=O.
What is the InChIKey of 3-[(4S)-4-(2-methylpropyl)-5-oxoimidazolidin-2-yl]propanoic acid?
The InChIKey is ZZQYMGOQMNOPAK-JAMMHHFISA-N. The full InChI is InChI=1S/C10H18N2O3/c1-6(2)5-7-10(15)12-8(11-7)3-4-9(13)14/h6-8,11H,3-5H2,1-2H3,(H,12,15)(H,13,14)/t7-,8?/m0/s1.
What are the key properties of 3-[(4S)-4-(2-methylpropyl)-5-oxoimidazolidin-2-yl]propanoic acid?
3-[(4S)-4-(2-methylpropyl)-5-oxoimidazolidin-2-yl]propanoic acid has a molecular weight of 214.26 g/mol, XLogP of 0.31, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4S)-4-(2-methylpropyl)-5-oxoimidazolidin-2-yl]propanoic acid is sourced from PubChem (CID 67886314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).