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

C11H20N2O3 — CID 76871852

IUPAC2-methyl-6-[(4S,5R)-5-methyl-2-oxoimidazolidin-4-yl]hexanoic acid
SMILESCC(CCCC[C@@H]1NC(=O)N[C@@H]1C)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-7(10(14)15)5-3-4-6-9-8(2)12-11(16)13-9/h7-9H,3-6H2,1-2H3,(H,14,15)(H2,12,13,16)/t7?,8-,9+/m1/s1
InChIKeyDSLSWBIYQALLJM-ASODMVGOSA-N
MW228.29 g/mol
LogP1.34
Rot. Bonds6

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

2-methyl-6-[(4S,5R)-5-methyl-2-oxoimidazolidin-4-yl]hexanoic acid (PubChem CID 76871852) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-methyl-6-[(4S,5R)-5-methyl-2-oxoimidazolidin-4-yl]hexanoic acid.

Molecular Properties

Compound Name2-methyl-6-[(4S,5R)-5-methyl-2-oxoimidazolidin-4-yl]hexanoic acid
PubChem CID76871852
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-methyl-6-[(4S,5R)-5-methyl-2-oxoimidazolidin-4-yl]hexanoic acid
SMILESCC(CCCC[C@@H]1NC(=O)N[C@@H]1C)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-7(10(14)15)5-3-4-6-9-8(2)12-11(16)13-9/h7-9H,3-6H2,1-2H3,(H,14,15)(H2,12,13,16)/t7?,8-,9+/m1/s1
InChIKeyDSLSWBIYQALLJM-ASODMVGOSA-N
XLogP1.34
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.34
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 2-methyl-6-[(4S,5R)-5-methyl-2-oxoimidazolidin-4-yl]hexanoic acid?
The IUPAC name of 2-methyl-6-[(4S,5R)-5-methyl-2-oxoimidazolidin-4-yl]hexanoic acid (CID 76871852) is 2-methyl-6-[(4S,5R)-5-methyl-2-oxoimidazolidin-4-yl]hexanoic acid.
What is the SMILES notation for 2-methyl-6-[(4S,5R)-5-methyl-2-oxoimidazolidin-4-yl]hexanoic acid?
The canonical SMILES for 2-methyl-6-[(4S,5R)-5-methyl-2-oxoimidazolidin-4-yl]hexanoic acid is CC(CCCC[C@@H]1NC(=O)N[C@@H]1C)C(=O)O.
What is the InChIKey of 2-methyl-6-[(4S,5R)-5-methyl-2-oxoimidazolidin-4-yl]hexanoic acid?
The InChIKey is DSLSWBIYQALLJM-ASODMVGOSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-7(10(14)15)5-3-4-6-9-8(2)12-11(16)13-9/h7-9H,3-6H2,1-2H3,(H,14,15)(H2,12,13,16)/t7?,8-,9+/m1/s1.
What are the key properties of 2-methyl-6-[(4S,5R)-5-methyl-2-oxoimidazolidin-4-yl]hexanoic acid?
2-methyl-6-[(4S,5R)-5-methyl-2-oxoimidazolidin-4-yl]hexanoic acid has a molecular weight of 228.29 g/mol, XLogP of 1.34, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(4S,5R)-5-methyl-2-oxoimidazolidin-4-yl]hexanoic acid is sourced from PubChem (CID 76871852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).