5-[(4S,5S)-5-methyl-2-oxoimidazolidin-4-yl]pentanoic acid

C9H16N2O3 — CID 2054868

IUPAC5-[(4S,5S)-5-methyl-2-oxoimidazolidin-4-yl]pentanoic acid
SMILESC[C@@H]1NC(=O)N[C@H]1CCCCC(=O)O
InChIInChI=1S/C9H16N2O3/c1-6-7(11-9(14)10-6)4-2-3-5-8(12)13/h6-7H,2-5H2,1H3,(H,12,13)(H2,10,11,14)/t6-,7-/m0/s1
InChIKeyBMKOIKZGCPRUSI-BQBZGAKWSA-N
MW200.24 g/mol
LogP0.70
Rot. Bonds5

About 5-[(4S,5S)-5-methyl-2-oxoimidazolidin-4-yl]pentanoic acid

5-[(4S,5S)-5-methyl-2-oxoimidazolidin-4-yl]pentanoic acid (PubChem CID 2054868) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 5-[(4S,5S)-5-methyl-2-oxoimidazolidin-4-yl]pentanoic acid.

Molecular Properties

Compound Name5-[(4S,5S)-5-methyl-2-oxoimidazolidin-4-yl]pentanoic acid
PubChem CID2054868
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name5-[(4S,5S)-5-methyl-2-oxoimidazolidin-4-yl]pentanoic acid
SMILESC[C@@H]1NC(=O)N[C@H]1CCCCC(=O)O
InChIInChI=1S/C9H16N2O3/c1-6-7(11-9(14)10-6)4-2-3-5-8(12)13/h6-7H,2-5H2,1H3,(H,12,13)(H2,10,11,14)/t6-,7-/m0/s1
InChIKeyBMKOIKZGCPRUSI-BQBZGAKWSA-N
XLogP0.70
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.70
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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Related Compounds

4-methyl-5-(6-oxoheptyl)imidazolidin-2-one
CID 155283579
6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoate
CID 25244917
methyl 5-(5-methyl-2-oxoimidazolidin-4-yl)pentanoate
CID 101336229
CID 73212702
CID 73212702
4-methyl-5-(18-methyl-6-oxononadecyl)imidazolidin-2-one
CID 167640123
N-(3,5-dimethylphenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide
CID 5305481
3-[(2R,3S)-3-[[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]methyl]oxiran-2-yl]propanoic acid
CID 10633100
N-(1-adamantyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide
CID 5300977
6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]-N-(4-methylphenyl)hexanamide
CID 2226567
N-hex-4-ynyl-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide
CID 131983512
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide
CID 91759535
[2-(furan-2-yl)-2-oxoethyl] 6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoate
CID 17308967

Frequently Asked Questions

What is the IUPAC name of 5-[(4S,5S)-5-methyl-2-oxoimidazolidin-4-yl]pentanoic acid?
The IUPAC name of 5-[(4S,5S)-5-methyl-2-oxoimidazolidin-4-yl]pentanoic acid (CID 2054868) is 5-[(4S,5S)-5-methyl-2-oxoimidazolidin-4-yl]pentanoic acid.
What is the SMILES notation for 5-[(4S,5S)-5-methyl-2-oxoimidazolidin-4-yl]pentanoic acid?
The canonical SMILES for 5-[(4S,5S)-5-methyl-2-oxoimidazolidin-4-yl]pentanoic acid is C[C@@H]1NC(=O)N[C@H]1CCCCC(=O)O.
What is the InChIKey of 5-[(4S,5S)-5-methyl-2-oxoimidazolidin-4-yl]pentanoic acid?
The InChIKey is BMKOIKZGCPRUSI-BQBZGAKWSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-6-7(11-9(14)10-6)4-2-3-5-8(12)13/h6-7H,2-5H2,1H3,(H,12,13)(H2,10,11,14)/t6-,7-/m0/s1.
What are the key properties of 5-[(4S,5S)-5-methyl-2-oxoimidazolidin-4-yl]pentanoic acid?
5-[(4S,5S)-5-methyl-2-oxoimidazolidin-4-yl]pentanoic acid has a molecular weight of 200.24 g/mol, XLogP of 0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4S,5S)-5-methyl-2-oxoimidazolidin-4-yl]pentanoic acid is sourced from PubChem (CID 2054868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).