2-amino-2-ethyl-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid

C13H23N3O2 — CID 106806563

IUPAC2-amino-2-ethyl-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid
SMILESCCC(N)(CCCn1ccnc1C(C)C)C(=O)O
InChIInChI=1S/C13H23N3O2/c1-4-13(14,12(17)18)6-5-8-16-9-7-15-11(16)10(2)3/h7,9-10H,4-6,8,14H2,1-3H3,(H,17,18)
InChIKeyBFLWPXJYPYOLQI-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.98
Rot. Bonds7

About 2-amino-2-ethyl-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid

2-amino-2-ethyl-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid (PubChem CID 106806563) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-amino-2-ethyl-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid.

Molecular Properties

Compound Name2-amino-2-ethyl-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid
PubChem CID106806563
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-amino-2-ethyl-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid
SMILESCCC(N)(CCCn1ccnc1C(C)C)C(=O)O
InChIInChI=1S/C13H23N3O2/c1-4-13(14,12(17)18)6-5-8-16-9-7-15-11(16)10(2)3/h7,9-10H,4-6,8,14H2,1-3H3,(H,17,18)
InChIKeyBFLWPXJYPYOLQI-UHFFFAOYSA-N
XLogP1.98
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2-(methylamino)-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid
CID 106806567
2-ethyl-2-(propan-2-ylamino)-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid
CID 106806562
3-(aminomethyl)-6-(2-propan-2-ylimidazol-1-yl)hexan-3-ol
CID 106811445
2-(cyclopropylamino)-2-ethyl-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid
CID 106806565
1-butyl-2-propan-2-ylimidazole
CID 11506521
2-ethyl-2-(methylamino)-5-(2-propan-2-ylimidazol-1-yl)pentan-1-ol
CID 106810004
1-(3-ethylsulfonylpropyl)-2-propan-2-ylimidazole
CID 65097353
3-(2-propan-2-ylimidazol-1-yl)propan-1-amine;dihydrobromide
CID 17139034
1-(5-chloropentyl)-2-propan-2-ylimidazole
CID 43168520
2-methyl-5-(2-propan-2-ylimidazol-1-yl)-2-(propylamino)pentan-1-ol
CID 64811296
1-(3-ethoxypropyl)-2-propan-2-ylimidazole
CID 65177942
1-(3-cyclopropylpropyl)-2-propan-2-ylimidazole
CID 167916960

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid?
The IUPAC name of 2-amino-2-ethyl-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid (CID 106806563) is 2-amino-2-ethyl-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid.
What is the SMILES notation for 2-amino-2-ethyl-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid?
The canonical SMILES for 2-amino-2-ethyl-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid is CCC(N)(CCCn1ccnc1C(C)C)C(=O)O.
What is the InChIKey of 2-amino-2-ethyl-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid?
The InChIKey is BFLWPXJYPYOLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-4-13(14,12(17)18)6-5-8-16-9-7-15-11(16)10(2)3/h7,9-10H,4-6,8,14H2,1-3H3,(H,17,18).
What are the key properties of 2-amino-2-ethyl-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid?
2-amino-2-ethyl-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid has a molecular weight of 253.35 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid is sourced from PubChem (CID 106806563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).