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

C10H18N2O3 — CID 11966269

IUPAC6-[(4S,5R)-5-methyl-2-oxoimidazolidin-4-yl]hexanoic acid
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)/t7-,8+/m1/s1
InChIKeyAUTOLBMXDDTRRT-SFYZADRCSA-N
MW214.26 g/mol
LogP1.09
Rot. Bonds6

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

6-[(4S,5R)-5-methyl-2-oxoimidazolidin-4-yl]hexanoic acid (PubChem CID 11966269) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 6-[(4S,5R)-5-methyl-2-oxoimidazolidin-4-yl]hexanoic acid.

Molecular Properties

Compound Name6-[(4S,5R)-5-methyl-2-oxoimidazolidin-4-yl]hexanoic acid
PubChem CID11966269
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name6-[(4S,5R)-5-methyl-2-oxoimidazolidin-4-yl]hexanoic acid
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)/t7-,8+/m1/s1
InChIKeyAUTOLBMXDDTRRT-SFYZADRCSA-N
XLogP1.09
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(4S,5R)-5-methyl-2-oxoimidazolidin-4-yl]hexanoic acid?
The IUPAC name of 6-[(4S,5R)-5-methyl-2-oxoimidazolidin-4-yl]hexanoic acid (CID 11966269) is 6-[(4S,5R)-5-methyl-2-oxoimidazolidin-4-yl]hexanoic acid.
What is the SMILES notation for 6-[(4S,5R)-5-methyl-2-oxoimidazolidin-4-yl]hexanoic acid?
The canonical SMILES for 6-[(4S,5R)-5-methyl-2-oxoimidazolidin-4-yl]hexanoic acid is C[C@H]1NC(=O)N[C@H]1CCCCCC(=O)O.
What is the InChIKey of 6-[(4S,5R)-5-methyl-2-oxoimidazolidin-4-yl]hexanoic acid?
The InChIKey is AUTOLBMXDDTRRT-SFYZADRCSA-N. 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)/t7-,8+/m1/s1.
What are the key properties of 6-[(4S,5R)-5-methyl-2-oxoimidazolidin-4-yl]hexanoic acid?
6-[(4S,5R)-5-methyl-2-oxoimidazolidin-4-yl]hexanoic acid has a molecular weight of 214.26 g/mol, XLogP of 1.09, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4S,5R)-5-methyl-2-oxoimidazolidin-4-yl]hexanoic acid is sourced from PubChem (CID 11966269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).