2-amino-2-(1-phenylimidazol-4-yl)acetic acid

C11H11N3O2 — CID 83887444

IUPAC2-amino-2-(1-phenylimidazol-4-yl)acetic acid
SMILESNC(C(=O)O)c1cn(-c2ccccc2)cn1
InChIInChI=1S/C11H11N3O2/c12-10(11(15)16)9-6-14(7-13-9)8-4-2-1-3-5-8/h1-7,10H,12H2,(H,15,16)
InChIKeyQWLYHTIOTCHONT-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.96
Rot. Bonds3

About 2-amino-2-(1-phenylimidazol-4-yl)acetic acid

2-amino-2-(1-phenylimidazol-4-yl)acetic acid (PubChem CID 83887444) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 2-amino-2-(1-phenylimidazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(1-phenylimidazol-4-yl)acetic acid
PubChem CID83887444
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name2-amino-2-(1-phenylimidazol-4-yl)acetic acid
SMILESNC(C(=O)O)c1cn(-c2ccccc2)cn1
InChIInChI=1S/C11H11N3O2/c12-10(11(15)16)9-6-14(7-13-9)8-4-2-1-3-5-8/h1-7,10H,12H2,(H,15,16)
InChIKeyQWLYHTIOTCHONT-UHFFFAOYSA-N
XLogP0.96
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-methylphenyl)imidazol-4-yl]propanoic acid
CID 83894198
methyl 2-amino-3-(1-phenylimidazol-4-yl)propanoate
CID 20872879
methane;methyl (2S)-2-amino-3-(1-phenylimidazol-4-yl)propanoate
CID 160550558
5-amino-1-phenylpyrimidin-4-one
CID 115114476
2-amino-2-(2-phenyl-1,2,4-triazol-3-yl)acetic acid
CID 115030492
(2S)-2-amino-2-(4-imidazol-1-ylphenyl)acetic acid
CID 66512415
4-(4-phenylimidazol-1-yl)benzoic acid
CID 58156765
2-amino-2-isoquinolin-3-ylacetic acid
CID 84776704
2-[3-(4-propan-2-ylimidazol-1-yl)phenyl]acetic acid
CID 82513528
(2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid
CID 71309299
2-amino-2-phenylacetic acid;benzene
CID 18446848
1-[1-(4-fluorophenyl)imidazol-4-yl]ethanamine;hydrochloride
CID 134263758

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(1-phenylimidazol-4-yl)acetic acid?
The IUPAC name of 2-amino-2-(1-phenylimidazol-4-yl)acetic acid (CID 83887444) is 2-amino-2-(1-phenylimidazol-4-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(1-phenylimidazol-4-yl)acetic acid?
The canonical SMILES for 2-amino-2-(1-phenylimidazol-4-yl)acetic acid is NC(C(=O)O)c1cn(-c2ccccc2)cn1.
What is the InChIKey of 2-amino-2-(1-phenylimidazol-4-yl)acetic acid?
The InChIKey is QWLYHTIOTCHONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c12-10(11(15)16)9-6-14(7-13-9)8-4-2-1-3-5-8/h1-7,10H,12H2,(H,15,16).
What are the key properties of 2-amino-2-(1-phenylimidazol-4-yl)acetic acid?
2-amino-2-(1-phenylimidazol-4-yl)acetic acid has a molecular weight of 217.23 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(1-phenylimidazol-4-yl)acetic acid is sourced from PubChem (CID 83887444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).