(2S)-2-amino-2-(4-imidazol-1-ylphenyl)acetic acid

C11H11N3O2 — CID 66512415

IUPAC(2S)-2-amino-2-(4-imidazol-1-ylphenyl)acetic acid
SMILESN[C@H](C(=O)O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C11H11N3O2/c12-10(11(15)16)8-1-3-9(4-2-8)14-6-5-13-7-14/h1-7,10H,12H2,(H,15,16)/t10-/m0/s1
InChIKeyMCJBOUFISOKKIS-JTQLQIEISA-N
MW217.23 g/mol
LogP0.96
Rot. Bonds3

About (2S)-2-amino-2-(4-imidazol-1-ylphenyl)acetic acid

(2S)-2-amino-2-(4-imidazol-1-ylphenyl)acetic acid (PubChem CID 66512415) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is (2S)-2-amino-2-(4-imidazol-1-ylphenyl)acetic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-(4-imidazol-1-ylphenyl)acetic acid
PubChem CID66512415
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name(2S)-2-amino-2-(4-imidazol-1-ylphenyl)acetic acid
SMILESN[C@H](C(=O)O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C11H11N3O2/c12-10(11(15)16)8-1-3-9(4-2-8)14-6-5-13-7-14/h1-7,10H,12H2,(H,15,16)/t10-/m0/s1
InChIKeyMCJBOUFISOKKIS-JTQLQIEISA-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-hydroxy-2-(4-imidazol-1-ylphenyl)acetic acid
CID 117310612
1-[4-[1,2,2-tris(4-imidazol-1-ylphenyl)ethyl]phenyl]imidazole
CID 162718283
1-(4-imidazol-1-ylphenyl)ethanamine;dihydrochloride
CID 91654248
methyl 2-hydroxy-2-(4-imidazol-1-ylphenyl)acetate
CID 117335977
2-(4-imidazol-1-ylphenyl)prop-2-enoic acid
CID 69134424
(1R)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-amine
CID 55278574
1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea
CID 174999274
1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-[(1R)-1-phenylethyl]urea
CID 36870824
2-amino-2-pyridin-4-ylacetic acid;hydrochloride
CID 42614333
2-(4-imidazol-1-ylphenyl)propan-1-ol
CID 117290878
2-(4-imidazol-1-ylphenyl)acetic acid;hydrochloride
CID 122163959
N-(4-imidazol-1-ylphenyl)acetamide
CID 16761727

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(4-imidazol-1-ylphenyl)acetic acid?
The IUPAC name of (2S)-2-amino-2-(4-imidazol-1-ylphenyl)acetic acid (CID 66512415) is (2S)-2-amino-2-(4-imidazol-1-ylphenyl)acetic acid.
What is the SMILES notation for (2S)-2-amino-2-(4-imidazol-1-ylphenyl)acetic acid?
The canonical SMILES for (2S)-2-amino-2-(4-imidazol-1-ylphenyl)acetic acid is N[C@H](C(=O)O)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of (2S)-2-amino-2-(4-imidazol-1-ylphenyl)acetic acid?
The InChIKey is MCJBOUFISOKKIS-JTQLQIEISA-N. The full InChI is InChI=1S/C11H11N3O2/c12-10(11(15)16)8-1-3-9(4-2-8)14-6-5-13-7-14/h1-7,10H,12H2,(H,15,16)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-2-(4-imidazol-1-ylphenyl)acetic acid?
(2S)-2-amino-2-(4-imidazol-1-ylphenyl)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 (2S)-2-amino-2-(4-imidazol-1-ylphenyl)acetic acid is sourced from PubChem (CID 66512415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).