2-ethyl-2-(propan-2-ylamino)-5-(2-propylimidazol-1-yl)pentanoic acid

C16H29N3O2 — CID 106806662

IUPAC2-ethyl-2-(propan-2-ylamino)-5-(2-propylimidazol-1-yl)pentanoic acid
SMILESCCCc1nccn1CCCC(CC)(NC(C)C)C(=O)O
InChIInChI=1S/C16H29N3O2/c1-5-8-14-17-10-12-19(14)11-7-9-16(6-2,15(20)21)18-13(3)4/h10,12-13,18H,5-9,11H2,1-4H3,(H,20,21)
InChIKeyOFLPHAQPZZDHPU-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.85
Rot. Bonds10

About 2-ethyl-2-(propan-2-ylamino)-5-(2-propylimidazol-1-yl)pentanoic acid

2-ethyl-2-(propan-2-ylamino)-5-(2-propylimidazol-1-yl)pentanoic acid (PubChem CID 106806662) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-ethyl-2-(propan-2-ylamino)-5-(2-propylimidazol-1-yl)pentanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(propan-2-ylamino)-5-(2-propylimidazol-1-yl)pentanoic acid
PubChem CID106806662
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name2-ethyl-2-(propan-2-ylamino)-5-(2-propylimidazol-1-yl)pentanoic acid
SMILESCCCc1nccn1CCCC(CC)(NC(C)C)C(=O)O
InChIInChI=1S/C16H29N3O2/c1-5-8-14-17-10-12-19(14)11-7-9-16(6-2,15(20)21)18-13(3)4/h10,12-13,18H,5-9,11H2,1-4H3,(H,20,21)
InChIKeyOFLPHAQPZZDHPU-UHFFFAOYSA-N
XLogP2.85
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2-(propan-2-ylamino)-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid
CID 106806562
2-ethyl-2-(methylamino)-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid
CID 106806567
2-ethyl-2-(propylamino)-5-(2-propylimidazol-1-yl)pentan-1-ol
CID 106809992
1-(4-methylpentyl)-2-propylimidazole
CID 83169083
2-(cyclopropylamino)-2-ethyl-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid
CID 106806565
5-(azepan-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanoic acid
CID 106805653
2-methyl-2-(propan-2-ylamino)-4-(2-propylimidazol-1-yl)pentanoic acid
CID 64707106
2-ethyl-2-(methylamino)-5-(2-thiophen-2-ylimidazol-1-yl)pentanoic acid
CID 106806640
2-ethyl-5-(1H-imidazol-2-ylsulfanyl)-2-(propan-2-ylamino)pentanoic acid
CID 114000936
1,2-di(pentadecyl)imidazole
CID 69388452
1-(2-propan-2-ylsulfonylethyl)-2-propylimidazole
CID 103857951
2-amino-2-ethyl-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid
CID 106806563

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(propan-2-ylamino)-5-(2-propylimidazol-1-yl)pentanoic acid?
The IUPAC name of 2-ethyl-2-(propan-2-ylamino)-5-(2-propylimidazol-1-yl)pentanoic acid (CID 106806662) is 2-ethyl-2-(propan-2-ylamino)-5-(2-propylimidazol-1-yl)pentanoic acid.
What is the SMILES notation for 2-ethyl-2-(propan-2-ylamino)-5-(2-propylimidazol-1-yl)pentanoic acid?
The canonical SMILES for 2-ethyl-2-(propan-2-ylamino)-5-(2-propylimidazol-1-yl)pentanoic acid is CCCc1nccn1CCCC(CC)(NC(C)C)C(=O)O.
What is the InChIKey of 2-ethyl-2-(propan-2-ylamino)-5-(2-propylimidazol-1-yl)pentanoic acid?
The InChIKey is OFLPHAQPZZDHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-5-8-14-17-10-12-19(14)11-7-9-16(6-2,15(20)21)18-13(3)4/h10,12-13,18H,5-9,11H2,1-4H3,(H,20,21).
What are the key properties of 2-ethyl-2-(propan-2-ylamino)-5-(2-propylimidazol-1-yl)pentanoic acid?
2-ethyl-2-(propan-2-ylamino)-5-(2-propylimidazol-1-yl)pentanoic acid has a molecular weight of 295.43 g/mol, XLogP of 2.85, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(propan-2-ylamino)-5-(2-propylimidazol-1-yl)pentanoic acid is sourced from PubChem (CID 106806662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).