5-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]hexanoic acid

C12H20N4O3 — CID 82849089

IUPAC5-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)NCCc1cnc[nH]1
InChIInChI=1S/C12H20N4O3/c1-9(3-2-4-11(17)18)16-12(19)14-6-5-10-7-13-8-15-10/h7-9H,2-6H2,1H3,(H,13,15)(H,17,18)(H2,14,16,19)
InChIKeySLELSKHKQZHKBB-UHFFFAOYSA-N
MW268.32 g/mol
LogP0.89
Rot. Bonds8

About 5-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]hexanoic acid

5-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]hexanoic acid (PubChem CID 82849089) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 5-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]hexanoic acid.

Molecular Properties

Compound Name5-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]hexanoic acid
PubChem CID82849089
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name5-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)NCCc1cnc[nH]1
InChIInChI=1S/C12H20N4O3/c1-9(3-2-4-11(17)18)16-12(19)14-6-5-10-7-13-8-15-10/h7-9H,2-6H2,1H3,(H,13,15)(H,17,18)(H2,14,16,19)
InChIKeySLELSKHKQZHKBB-UHFFFAOYSA-N
XLogP0.89
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]pentanoic acid
CID 107567139
(2S)-5-amino-2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-5-oxopentanoic acid
CID 65231156
(4S)-4-amino-5-[2-(1H-imidazol-5-yl)ethylamino]-5-oxopentanoic acid
CID 10220386
3-(1H-imidazol-5-yl)-2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]propanoic acid
CID 65231297
1-ethyl-3-[2-(1H-imidazol-5-yl)ethyl]urea
CID 65231782
5-[2-(4-chlorophenyl)ethylcarbamoylamino]hexanoic acid
CID 82847209
3-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-3-methylbutanoic acid
CID 65231716
2-(1H-imidazol-5-yl)ethylurea
CID 10582986
N-[2-(1H-imidazol-5-yl)ethyl]heptanamide
CID 14712098
N-[2-(1H-imidazol-5-yl)ethyl]hexadecanamide
CID 171117218
3-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-2,2,4-trimethylpentanoic acid
CID 126647448
N-[2-(1H-imidazol-5-yl)ethyl]-2-methylprop-2-enamide
CID 54544800

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]hexanoic acid?
The IUPAC name of 5-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]hexanoic acid (CID 82849089) is 5-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]hexanoic acid.
What is the SMILES notation for 5-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]hexanoic acid?
The canonical SMILES for 5-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]hexanoic acid is CC(CCCC(=O)O)NC(=O)NCCc1cnc[nH]1.
What is the InChIKey of 5-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]hexanoic acid?
The InChIKey is SLELSKHKQZHKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-9(3-2-4-11(17)18)16-12(19)14-6-5-10-7-13-8-15-10/h7-9H,2-6H2,1H3,(H,13,15)(H,17,18)(H2,14,16,19).
What are the key properties of 5-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]hexanoic acid?
5-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]hexanoic acid has a molecular weight of 268.32 g/mol, XLogP of 0.89, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]hexanoic acid is sourced from PubChem (CID 82849089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).