(2S)-2-amino-3-methylbutanoic acid;1H-imidazole

C8H15N3O2 — CID 66756430

IUPAC(2S)-2-amino-3-methylbutanoic acid;1H-imidazole
SMILESCC(C)[C@H](N)C(=O)O.c1c[nH]cn1
InChIInChI=1S/C5H11NO2.C3H4N2/c1-3(2)4(6)5(7)8;1-2-5-3-4-1/h3-4H,6H2,1-2H3,(H,7,8);1-3H,(H,4,5)/t4-;/m0./s1
InChIKeyZBSFLLBRHNWUFE-WCCKRBBISA-N
MW185.23 g/mol
LogP0.46
Rot. Bonds2

About (2S)-2-amino-3-methylbutanoic acid;1H-imidazole

(2S)-2-amino-3-methylbutanoic acid;1H-imidazole (PubChem CID 66756430) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is (2S)-2-amino-3-methylbutanoic acid;1H-imidazole.

Molecular Properties

Compound Name(2S)-2-amino-3-methylbutanoic acid;1H-imidazole
PubChem CID66756430
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name(2S)-2-amino-3-methylbutanoic acid;1H-imidazole
SMILESCC(C)[C@H](N)C(=O)O.c1c[nH]cn1
InChIInChI=1S/C5H11NO2.C3H4N2/c1-3(2)4(6)5(7)8;1-2-5-3-4-1/h3-4H,6H2,1-2H3,(H,7,8);1-3H,(H,4,5)/t4-;/m0./s1
InChIKeyZBSFLLBRHNWUFE-WCCKRBBISA-N
XLogP0.46
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Imidazole acetate
CID 18411416
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CID 46237587
3-Imidazolyl-L-alanine
CID 11955442
2-Methylimidazolium hydrogen succinate
CID 19756743
2-amino-3-(1H-imidazol-2-yl)propanoic acid
CID 300799
2-(1H-imidazol-2-ylamino)acetic acid
CID 17936813
4-amino-3-(1H-imidazol-2-yl)butanoic Acid
CID 10197882
2-(1H-imidazol-2-yl)propanoic acid
CID 20849167
1H-imidazole;propanoic acid
CID 21250915
(S)-2-((1H-Imidazol-4-yl)amino)propanoicacid
CID 45086701
Imidazolylalanin
CID 54535857
Imidazolium Acetate
CID 66735416

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methylbutanoic acid;1H-imidazole?
The IUPAC name of (2S)-2-amino-3-methylbutanoic acid;1H-imidazole (CID 66756430) is (2S)-2-amino-3-methylbutanoic acid;1H-imidazole.
What is the SMILES notation for (2S)-2-amino-3-methylbutanoic acid;1H-imidazole?
The canonical SMILES for (2S)-2-amino-3-methylbutanoic acid;1H-imidazole is CC(C)[C@H](N)C(=O)O.c1c[nH]cn1.
What is the InChIKey of (2S)-2-amino-3-methylbutanoic acid;1H-imidazole?
The InChIKey is ZBSFLLBRHNWUFE-WCCKRBBISA-N. The full InChI is InChI=1S/C5H11NO2.C3H4N2/c1-3(2)4(6)5(7)8;1-2-5-3-4-1/h3-4H,6H2,1-2H3,(H,7,8);1-3H,(H,4,5)/t4-;/m0./s1.
What are the key properties of (2S)-2-amino-3-methylbutanoic acid;1H-imidazole?
(2S)-2-amino-3-methylbutanoic acid;1H-imidazole has a molecular weight of 185.23 g/mol, XLogP of 0.46, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methylbutanoic acid;1H-imidazole is sourced from PubChem (CID 66756430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).