5-(5-methyl-2-oxoimidazolidin-4-yl)pentanoic acid

C9H16N2O3 — CID 2837714

IUPAC5-(5-methyl-2-oxoimidazolidin-4-yl)pentanoic acid
SMILESCC1NC(=O)NC1CCCCC(=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)
InChIKeyBMKOIKZGCPRUSI-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.70
Rot. Bonds5

About 5-(5-methyl-2-oxoimidazolidin-4-yl)pentanoic acid

5-(5-methyl-2-oxoimidazolidin-4-yl)pentanoic acid (PubChem CID 2837714) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 5-(5-methyl-2-oxoimidazolidin-4-yl)pentanoic acid.

Molecular Properties

Compound Name5-(5-methyl-2-oxoimidazolidin-4-yl)pentanoic acid
PubChem CID2837714
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name5-(5-methyl-2-oxoimidazolidin-4-yl)pentanoic acid
SMILESCC1NC(=O)NC1CCCCC(=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)
InChIKeyBMKOIKZGCPRUSI-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-2-oxoimidazolidin-4-yl)pentanoic acid?
The IUPAC name of 5-(5-methyl-2-oxoimidazolidin-4-yl)pentanoic acid (CID 2837714) is 5-(5-methyl-2-oxoimidazolidin-4-yl)pentanoic acid.
What is the SMILES notation for 5-(5-methyl-2-oxoimidazolidin-4-yl)pentanoic acid?
The canonical SMILES for 5-(5-methyl-2-oxoimidazolidin-4-yl)pentanoic acid is CC1NC(=O)NC1CCCCC(=O)O.
What is the InChIKey of 5-(5-methyl-2-oxoimidazolidin-4-yl)pentanoic acid?
The InChIKey is BMKOIKZGCPRUSI-UHFFFAOYSA-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).
What are the key properties of 5-(5-methyl-2-oxoimidazolidin-4-yl)pentanoic acid?
5-(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-(5-methyl-2-oxoimidazolidin-4-yl)pentanoic acid is sourced from PubChem (CID 2837714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).