6-(2-oxo-5-pentylimidazolidin-4-yl)hexanoic acid

C14H26N2O3 — CID 2832720

IUPAC6-(2-oxo-5-pentylimidazolidin-4-yl)hexanoic acid
SMILESCCCCCC1NC(=O)NC1CCCCCC(=O)O
InChIInChI=1S/C14H26N2O3/c1-2-3-5-8-11-12(16-14(19)15-11)9-6-4-7-10-13(17)18/h11-12H,2-10H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyNSDQBEBMMGYYSM-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.65
Rot. Bonds10

About 6-(2-oxo-5-pentylimidazolidin-4-yl)hexanoic acid

6-(2-oxo-5-pentylimidazolidin-4-yl)hexanoic acid (PubChem CID 2832720) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 6-(2-oxo-5-pentylimidazolidin-4-yl)hexanoic acid.

Molecular Properties

Compound Name6-(2-oxo-5-pentylimidazolidin-4-yl)hexanoic acid
PubChem CID2832720
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name6-(2-oxo-5-pentylimidazolidin-4-yl)hexanoic acid
SMILESCCCCCC1NC(=O)NC1CCCCCC(=O)O
InChIInChI=1S/C14H26N2O3/c1-2-3-5-8-11-12(16-14(19)15-11)9-6-4-7-10-13(17)18/h11-12H,2-10H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyNSDQBEBMMGYYSM-UHFFFAOYSA-N
XLogP2.65
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.65
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

Desthiobiotin
CID 445027
dl-Desthiobiotin
CID 643
7-(((Cyclohexylamino)carbonyl)amino)heptanoic acid
CID 6420121
12-((Cyclohexylcarbamoyl)amino)dodecanoic acid
CID 22978774
Dethiobiotin(1-)
CID 25244917
(4R,5S)-dethiobiotin(1-)
CID 36688063
5-(5-Methyl-2-oxoimidazolidin-4-yl)pentanoic acid
CID 2837714
7-(Carboxyamino)-8-Amino-Nonanoic Acid
CID 444640
Selenobiotin
CID 194048
16-(Ethylcarbamoylamino)hexadecanoic acid
CID 76073080
16-(Tert-butylcarbamoylamino)hexadecanoic acid
CID 90178273
alpha-Methyldethiobiotin
CID 169822

Frequently Asked Questions

What is the IUPAC name of 6-(2-oxo-5-pentylimidazolidin-4-yl)hexanoic acid?
The IUPAC name of 6-(2-oxo-5-pentylimidazolidin-4-yl)hexanoic acid (CID 2832720) is 6-(2-oxo-5-pentylimidazolidin-4-yl)hexanoic acid.
What is the SMILES notation for 6-(2-oxo-5-pentylimidazolidin-4-yl)hexanoic acid?
The canonical SMILES for 6-(2-oxo-5-pentylimidazolidin-4-yl)hexanoic acid is CCCCCC1NC(=O)NC1CCCCCC(=O)O.
What is the InChIKey of 6-(2-oxo-5-pentylimidazolidin-4-yl)hexanoic acid?
The InChIKey is NSDQBEBMMGYYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-2-3-5-8-11-12(16-14(19)15-11)9-6-4-7-10-13(17)18/h11-12H,2-10H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 6-(2-oxo-5-pentylimidazolidin-4-yl)hexanoic acid?
6-(2-oxo-5-pentylimidazolidin-4-yl)hexanoic acid has a molecular weight of 270.37 g/mol, XLogP of 2.65, 10 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-oxo-5-pentylimidazolidin-4-yl)hexanoic acid is sourced from PubChem (CID 2832720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).