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

C10H19N3O2 — CID 175490128

IUPAC2-amino-2-methylhexanoic acid;1H-imidazole
SMILESCCCCC(C)(N)C(=O)O.c1c[nH]cn1
InChIInChI=1S/C7H15NO2.C3H4N2/c1-3-4-5-7(2,8)6(9)10;1-2-5-3-4-1/h3-5,8H2,1-2H3,(H,9,10);1-3H,(H,4,5)
InChIKeyHVJCEAGFGDJJBP-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.39
Rot. Bonds4

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

2-amino-2-methylhexanoic acid;1H-imidazole (PubChem CID 175490128) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-amino-2-methylhexanoic acid;1H-imidazole.

Molecular Properties

Compound Name2-amino-2-methylhexanoic acid;1H-imidazole
PubChem CID175490128
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name2-amino-2-methylhexanoic acid;1H-imidazole
SMILESCCCCC(C)(N)C(=O)O.c1c[nH]cn1
InChIInChI=1S/C7H15NO2.C3H4N2/c1-3-4-5-7(2,8)6(9)10;1-2-5-3-4-1/h3-5,8H2,1-2H3,(H,9,10);1-3H,(H,4,5)
InChIKeyHVJCEAGFGDJJBP-UHFFFAOYSA-N
XLogP1.39
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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butan-1-ol;1H-imidazole;hydrochloride
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ethyl octanoate;1H-imidazole
CID 175401289
2,2-dimethylbutane;ethane;1H-imidazole
CID 90927603
(E,2R)-2-amino-2-methyldec-6-enoic acid
CID 102601562
tert-butyl acetate;1H-imidazole
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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methylhexanoic acid;1H-imidazole?
The IUPAC name of 2-amino-2-methylhexanoic acid;1H-imidazole (CID 175490128) is 2-amino-2-methylhexanoic acid;1H-imidazole.
What is the SMILES notation for 2-amino-2-methylhexanoic acid;1H-imidazole?
The canonical SMILES for 2-amino-2-methylhexanoic acid;1H-imidazole is CCCCC(C)(N)C(=O)O.c1c[nH]cn1.
What is the InChIKey of 2-amino-2-methylhexanoic acid;1H-imidazole?
The InChIKey is HVJCEAGFGDJJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.C3H4N2/c1-3-4-5-7(2,8)6(9)10;1-2-5-3-4-1/h3-5,8H2,1-2H3,(H,9,10);1-3H,(H,4,5).
What are the key properties of 2-amino-2-methylhexanoic acid;1H-imidazole?
2-amino-2-methylhexanoic acid;1H-imidazole has a molecular weight of 213.28 g/mol, XLogP of 1.39, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methylhexanoic acid;1H-imidazole is sourced from PubChem (CID 175490128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).