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

C14H25N3O2 — CID 106806567

IUPAC2-ethyl-2-(methylamino)-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid
SMILESCCC(CCCn1ccnc1C(C)C)(NC)C(=O)O
InChIInChI=1S/C14H25N3O2/c1-5-14(15-4,13(18)19)7-6-9-17-10-8-16-12(17)11(2)3/h8,10-11,15H,5-7,9H2,1-4H3,(H,18,19)
InChIKeyGQSVBWITDDNQMO-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.24
Rot. Bonds8

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

2-ethyl-2-(methylamino)-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid (PubChem CID 106806567) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-ethyl-2-(methylamino)-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(methylamino)-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid
PubChem CID106806567
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name2-ethyl-2-(methylamino)-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid
SMILESCCC(CCCn1ccnc1C(C)C)(NC)C(=O)O
InChIInChI=1S/C14H25N3O2/c1-5-14(15-4,13(18)19)7-6-9-17-10-8-16-12(17)11(2)3/h8,10-11,15H,5-7,9H2,1-4H3,(H,18,19)
InChIKeyGQSVBWITDDNQMO-UHFFFAOYSA-N
XLogP2.24
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.24
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-(cyclopropylamino)-2-ethyl-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid
CID 106806565
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
2-ethyl-2-(methylamino)-5-(2-thiophen-2-ylimidazol-1-yl)pentanoic acid
CID 106806640
2-ethyl-2-(propan-2-ylamino)-5-(2-propylimidazol-1-yl)pentanoic acid
CID 106806662
3-(aminomethyl)-6-(2-propan-2-ylimidazol-1-yl)hexan-3-ol
CID 106811445
1-butyl-2-propan-2-ylimidazole
CID 11506521
N-methyl-3-(2-propan-2-ylimidazol-1-yl)propan-1-amine
CID 61387413
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

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(methylamino)-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid?
The IUPAC name of 2-ethyl-2-(methylamino)-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid (CID 106806567) is 2-ethyl-2-(methylamino)-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid.
What is the SMILES notation for 2-ethyl-2-(methylamino)-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid?
The canonical SMILES for 2-ethyl-2-(methylamino)-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid is CCC(CCCn1ccnc1C(C)C)(NC)C(=O)O.
What is the InChIKey of 2-ethyl-2-(methylamino)-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid?
The InChIKey is GQSVBWITDDNQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-5-14(15-4,13(18)19)7-6-9-17-10-8-16-12(17)11(2)3/h8,10-11,15H,5-7,9H2,1-4H3,(H,18,19).
What are the key properties of 2-ethyl-2-(methylamino)-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid?
2-ethyl-2-(methylamino)-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid has a molecular weight of 267.37 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(methylamino)-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid is sourced from PubChem (CID 106806567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).