6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanoate

C10H17N2O3- — CID 36688063

IUPAC6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanoate
SMILESC[C@@H]1NC(=O)N[C@@H]1CCCCCC(=O)[O-]
InChIInChI=1S/C10H18N2O3/c1-7-8(12-10(15)11-7)5-3-2-4-6-9(13)14/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15)/p-1/t7-,8+/m0/s1
InChIKeyAUTOLBMXDDTRRT-JGVFFNPUSA-M
MW213.26 g/mol
LogP-0.24
Rot. Bonds6

About 6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanoate

6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanoate (PubChem CID 36688063) has the molecular formula C10H17N2O3- and a molecular weight of 213.26 g/mol. Its IUPAC name is 6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanoate.

Molecular Properties

Compound Name6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanoate
PubChem CID36688063
Molecular FormulaC10H17N2O3-
Molecular Weight213.26 g/mol
Exact Mass213.12
IUPAC Name6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanoate
SMILESC[C@@H]1NC(=O)N[C@@H]1CCCCCC(=O)[O-]
InChIInChI=1S/C10H18N2O3/c1-7-8(12-10(15)11-7)5-3-2-4-6-9(13)14/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15)/p-1/t7-,8+/m0/s1
InChIKeyAUTOLBMXDDTRRT-JGVFFNPUSA-M
XLogP-0.24
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Desthiobiotin
CID 445027
dl-Desthiobiotin
CID 643
Dethiobiotin(1-)
CID 25244917
5-(5-Methyl-2-oxoimidazolidin-4-yl)pentanoic acid
CID 2837714
alpha-Methyldethiobiotin
CID 169822
6-(2-Oxo-5-pentylimidazolidin-4-yl)hexanoic acid
CID 2832720
Libramycin A
CID 76871852
(7R,8S)-8-amino-7-(carboxyamino)nonanoate
CID 146026637
9-Mercaptodethiobiotin
CID 192301
Desthiobiotin, (-)-
CID 11966269
Bisnordethiobiotin
CID 57357496
6-(2-Oxoimidazolidin-4-yl)hexanoic acid
CID 21586236

Frequently Asked Questions

What is the IUPAC name of 6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanoate?
The IUPAC name of 6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanoate (CID 36688063) is 6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanoate.
What is the SMILES notation for 6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanoate?
The canonical SMILES for 6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanoate is C[C@@H]1NC(=O)N[C@@H]1CCCCCC(=O)[O-].
What is the InChIKey of 6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanoate?
The InChIKey is AUTOLBMXDDTRRT-JGVFFNPUSA-M. The full InChI is InChI=1S/C10H18N2O3/c1-7-8(12-10(15)11-7)5-3-2-4-6-9(13)14/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15)/p-1/t7-,8+/m0/s1.
What are the key properties of 6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanoate?
6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanoate has a molecular weight of 213.26 g/mol, XLogP of -0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanoate is sourced from PubChem (CID 36688063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).