2-amino-3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]propanoic acid

C14H17N3O2 — CID 116881749

IUPAC2-amino-3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]propanoic acid
SMILESCCc1ccc(-c2cnc(CC(N)C(=O)O)[nH]2)cc1
InChIInChI=1S/C14H17N3O2/c1-2-9-3-5-10(6-4-9)12-8-16-13(17-12)7-11(15)14(18)19/h3-6,8,11H,2,7,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyXNQRIDODEZAHSN-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.59
Rot. Bonds5

About 2-amino-3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]propanoic acid

2-amino-3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]propanoic acid (PubChem CID 116881749) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-amino-3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]propanoic acid
PubChem CID116881749
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-amino-3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]propanoic acid
SMILESCCc1ccc(-c2cnc(CC(N)C(=O)O)[nH]2)cc1
InChIInChI=1S/C14H17N3O2/c1-2-9-3-5-10(6-4-9)12-8-16-13(17-12)7-11(15)14(18)19/h3-6,8,11H,2,7,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyXNQRIDODEZAHSN-UHFFFAOYSA-N
XLogP1.59
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-[5-(4-ethylphenyl)-1H-imidazol-2-yl]acetic acid
CID 116881459
4-[5-(4-ethylphenyl)-1H-imidazol-2-yl]butanoic acid
CID 116878659
3-amino-3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]propanoic acid
CID 116881794
(2S)-2-amino-3-(4-ethylphenyl)propanoic acid
CID 13406785
2-amino-4-(5-phenyl-1H-imidazol-2-yl)butanoic acid
CID 23509804
2-amino-3-(4-bromophenyl)propanoic acid;2-amino-3-(4-ethylphenyl)propanoic acid;ethane
CID 145152380
1-[5-(4-phenylphenyl)-1H-imidazol-2-yl]propan-2-amine
CID 60842314
3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]propanenitrile
CID 116880113
3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid
CID 116878882
2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid
CID 68887507
1-(5-phenyl-1H-imidazol-2-yl)propan-2-amine
CID 60840875
N-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-[4-(4-ethylphenyl)phenyl]acetamide
CID 177349338

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]propanoic acid?
The IUPAC name of 2-amino-3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]propanoic acid (CID 116881749) is 2-amino-3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]propanoic acid.
What is the SMILES notation for 2-amino-3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]propanoic acid?
The canonical SMILES for 2-amino-3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]propanoic acid is CCc1ccc(-c2cnc(CC(N)C(=O)O)[nH]2)cc1.
What is the InChIKey of 2-amino-3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]propanoic acid?
The InChIKey is XNQRIDODEZAHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-9-3-5-10(6-4-9)12-8-16-13(17-12)7-11(15)14(18)19/h3-6,8,11H,2,7,15H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-amino-3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]propanoic acid?
2-amino-3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]propanoic acid has a molecular weight of 259.31 g/mol, XLogP of 1.59, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]propanoic acid is sourced from PubChem (CID 116881749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).