2-amino-2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]acetic acid

C13H15N3O3 — CID 116881469

IUPAC2-amino-2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]acetic acid
SMILESCOc1ccc(C)cc1-c1cnc(C(N)C(=O)O)[nH]1
InChIInChI=1S/C13H15N3O3/c1-7-3-4-10(19-2)8(5-7)9-6-15-12(16-9)11(14)13(17)18/h3-6,11H,14H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyHASMRKUKMRBYOH-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.48
Rot. Bonds4

About 2-amino-2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]acetic acid

2-amino-2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]acetic acid (PubChem CID 116881469) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-amino-2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]acetic acid
PubChem CID116881469
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name2-amino-2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]acetic acid
SMILESCOc1ccc(C)cc1-c1cnc(C(N)C(=O)O)[nH]1
InChIInChI=1S/C13H15N3O3/c1-7-3-4-10(19-2)8(5-7)9-6-15-12(16-9)11(14)13(17)18/h3-6,11H,14H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyHASMRKUKMRBYOH-UHFFFAOYSA-N
XLogP1.48
TPSA101.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]acetic acid
CID 116881506
2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]ethanamine
CID 43650904
2-bromo-5-(2-methoxy-5-methylphenyl)-1H-imidazole
CID 116884225
2-amino-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]acetic acid
CID 116881507
[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]methanethiol
CID 116879145
2-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid
CID 116882773
3-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]propan-1-amine
CID 43650816
3-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]cyclobutan-1-amine
CID 116877941
6-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 56701713
2-amino-2-[5-(4-ethylphenyl)-1H-imidazol-2-yl]acetic acid
CID 116881459
2-[6-(2-methoxy-5-methylphenyl)-2-oxo-1H-pyridin-3-yl]acetic acid
CID 82517496
N-[2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine
CID 60867500

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]acetic acid?
The IUPAC name of 2-amino-2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]acetic acid (CID 116881469) is 2-amino-2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]acetic acid?
The canonical SMILES for 2-amino-2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]acetic acid is COc1ccc(C)cc1-c1cnc(C(N)C(=O)O)[nH]1.
What is the InChIKey of 2-amino-2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]acetic acid?
The InChIKey is HASMRKUKMRBYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-7-3-4-10(19-2)8(5-7)9-6-15-12(16-9)11(14)13(17)18/h3-6,11H,14H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-amino-2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]acetic acid?
2-amino-2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]acetic acid has a molecular weight of 261.28 g/mol, XLogP of 1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]acetic acid is sourced from PubChem (CID 116881469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).