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

C16H29N3O2 — CID 106806562

IUPAC2-ethyl-2-(propan-2-ylamino)-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid
SMILESCCC(CCCn1ccnc1C(C)C)(NC(C)C)C(=O)O
InChIInChI=1S/C16H29N3O2/c1-6-16(15(20)21,18-13(4)5)8-7-10-19-11-9-17-14(19)12(2)3/h9,11-13,18H,6-8,10H2,1-5H3,(H,20,21)
InChIKeyFEIRZGOEDSEAFS-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.02
Rot. Bonds9

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

2-ethyl-2-(propan-2-ylamino)-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid (PubChem CID 106806562) 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-propan-2-ylimidazol-1-yl)pentanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(propan-2-ylamino)-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid
PubChem CID106806562
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name2-ethyl-2-(propan-2-ylamino)-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid
SMILESCCC(CCCn1ccnc1C(C)C)(NC(C)C)C(=O)O
InChIInChI=1S/C16H29N3O2/c1-6-16(15(20)21,18-13(4)5)8-7-10-19-11-9-17-14(19)12(2)3/h9,11-13,18H,6-8,10H2,1-5H3,(H,20,21)
InChIKeyFEIRZGOEDSEAFS-UHFFFAOYSA-N
XLogP3.02
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.02
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-(cyclopropylamino)-2-ethyl-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid
CID 106806565
2-ethyl-2-(propan-2-ylamino)-5-(2-propylimidazol-1-yl)pentanoic acid
CID 106806662
2-amino-2-ethyl-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid
CID 106806563
2-ethyl-2-(methylamino)-5-(2-propan-2-ylimidazol-1-yl)pentan-1-ol
CID 106810004
3-(aminomethyl)-6-(2-propan-2-ylimidazol-1-yl)hexan-3-ol
CID 106811445
1-butyl-2-propan-2-ylimidazole
CID 11506521
5-(azepan-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanoic acid
CID 106805653
1-(3-ethylsulfonylpropyl)-2-propan-2-ylimidazole
CID 65097353
2-methyl-5-(2-propan-2-ylimidazol-1-yl)-2-(propylamino)pentan-1-ol
CID 64811296
1-(5-chloropentyl)-2-propan-2-ylimidazole
CID 43168520
N-methyl-3-(2-propan-2-ylimidazol-1-yl)propan-1-amine
CID 61387413

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(propan-2-ylamino)-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid?
The IUPAC name of 2-ethyl-2-(propan-2-ylamino)-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid (CID 106806562) is 2-ethyl-2-(propan-2-ylamino)-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid.
What is the SMILES notation for 2-ethyl-2-(propan-2-ylamino)-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid?
The canonical SMILES for 2-ethyl-2-(propan-2-ylamino)-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid is CCC(CCCn1ccnc1C(C)C)(NC(C)C)C(=O)O.
What is the InChIKey of 2-ethyl-2-(propan-2-ylamino)-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid?
The InChIKey is FEIRZGOEDSEAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-6-16(15(20)21,18-13(4)5)8-7-10-19-11-9-17-14(19)12(2)3/h9,11-13,18H,6-8,10H2,1-5H3,(H,20,21).
What are the key properties of 2-ethyl-2-(propan-2-ylamino)-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid?
2-ethyl-2-(propan-2-ylamino)-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid has a molecular weight of 295.43 g/mol, XLogP of 3.02, 9 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-propan-2-ylimidazol-1-yl)pentanoic acid is sourced from PubChem (CID 106806562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).