2-amino-2-butylhexanoic acid;1H-imidazole

C13H25N3O2 — CID 175490103

IUPAC2-amino-2-butylhexanoic acid;1H-imidazole
SMILESCCCCC(N)(CCCC)C(=O)O.c1c[nH]cn1
InChIInChI=1S/C10H21NO2.C3H4N2/c1-3-5-7-10(11,9(12)13)8-6-4-2;1-2-5-3-4-1/h3-8,11H2,1-2H3,(H,12,13);1-3H,(H,4,5)
InChIKeyDBVZTGDWNXMDBU-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.56
Rot. Bonds7

About 2-amino-2-butylhexanoic acid;1H-imidazole

2-amino-2-butylhexanoic acid;1H-imidazole (PubChem CID 175490103) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-amino-2-butylhexanoic acid;1H-imidazole.

Molecular Properties

Compound Name2-amino-2-butylhexanoic acid;1H-imidazole
PubChem CID175490103
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-amino-2-butylhexanoic acid;1H-imidazole
SMILESCCCCC(N)(CCCC)C(=O)O.c1c[nH]cn1
InChIInChI=1S/C10H21NO2.C3H4N2/c1-3-5-7-10(11,9(12)13)8-6-4-2;1-2-5-3-4-1/h3-8,11H2,1-2H3,(H,12,13);1-3H,(H,4,5)
InChIKeyDBVZTGDWNXMDBU-UHFFFAOYSA-N
XLogP2.56
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methylhexanoic acid;1H-imidazole
CID 175490128
bis(1H-imidazole);propanoic acid
CID 23342234
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CID 18935913
ethyl octanoate;1H-imidazole
CID 175401289
3-ethylheptanoic acid;1H-imidazole
CID 175118598
1H-imidazole;2-iodo-2-methylheptane
CID 68937236
bis(1H-imidazole);dihydrochloride
CID 173058231
1H-imidazole;tetrahydrochloride
CID 141350371
2-amino-2-(4-aminobutyl)icosanoic acid;dihydrochloride
CID 20978392
1H-imidazole;octan-2-amine
CID 22649828
2,2-dimethylbutane;ethane;1H-imidazole
CID 90927603
sodium;1H-imidazole;acetate
CID 68723506

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-butylhexanoic acid;1H-imidazole?
The IUPAC name of 2-amino-2-butylhexanoic acid;1H-imidazole (CID 175490103) is 2-amino-2-butylhexanoic acid;1H-imidazole.
What is the SMILES notation for 2-amino-2-butylhexanoic acid;1H-imidazole?
The canonical SMILES for 2-amino-2-butylhexanoic acid;1H-imidazole is CCCCC(N)(CCCC)C(=O)O.c1c[nH]cn1.
What is the InChIKey of 2-amino-2-butylhexanoic acid;1H-imidazole?
The InChIKey is DBVZTGDWNXMDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2.C3H4N2/c1-3-5-7-10(11,9(12)13)8-6-4-2;1-2-5-3-4-1/h3-8,11H2,1-2H3,(H,12,13);1-3H,(H,4,5).
What are the key properties of 2-amino-2-butylhexanoic acid;1H-imidazole?
2-amino-2-butylhexanoic acid;1H-imidazole has a molecular weight of 255.36 g/mol, XLogP of 2.56, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-butylhexanoic acid;1H-imidazole is sourced from PubChem (CID 175490103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).