2-amino-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]acetic acid

C12H13N3O3 — CID 116881507

IUPAC2-amino-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]acetic acid
SMILESCOc1cccc(-c2cnc(C(N)C(=O)O)[nH]2)c1
InChIInChI=1S/C12H13N3O3/c1-18-8-4-2-3-7(5-8)9-6-14-11(15-9)10(13)12(16)17/h2-6,10H,13H2,1H3,(H,14,15)(H,16,17)
InChIKeyMGNOIJISUKSVBT-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.17
Rot. Bonds4

About 2-amino-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]acetic acid

2-amino-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]acetic acid (PubChem CID 116881507) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-amino-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]acetic acid
PubChem CID116881507
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name2-amino-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]acetic acid
SMILESCOc1cccc(-c2cnc(C(N)C(=O)O)[nH]2)c1
InChIInChI=1S/C12H13N3O3/c1-18-8-4-2-3-7(5-8)9-6-14-11(15-9)10(13)12(16)17/h2-6,10H,13H2,1H3,(H,14,15)(H,16,17)
InChIKeyMGNOIJISUKSVBT-UHFFFAOYSA-N
XLogP1.17
TPSA101.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-methoxyphenyl)-2-propan-2-yl-1H-imidazole
CID 166267490
2-amino-2-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]acetic acid
CID 116881506
2-chloro-N-[1-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]ethyl]acetamide;hydrochloride
CID 146085855
2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pentan-1-amine
CID 65230758
ethyl 5-(3-methoxyphenyl)-1H-imidazole-2-carboxylate
CID 116883542
2-amino-2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]acetic acid
CID 116881469
2-amino-2-[5-(4-ethylphenyl)-1H-imidazol-2-yl]acetic acid
CID 116881459
[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-(3-methylthiophen-2-yl)methanol
CID 155902159
(3-chloro-5-fluorophenyl)-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methanol
CID 46943479
1-[5-[3-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-3-methoxypropan-1-amine
CID 62476310
2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]ethanethiol
CID 116879358
6-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]hexan-1-amine
CID 43651783

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]acetic acid?
The IUPAC name of 2-amino-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]acetic acid (CID 116881507) is 2-amino-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]acetic acid?
The canonical SMILES for 2-amino-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]acetic acid is COc1cccc(-c2cnc(C(N)C(=O)O)[nH]2)c1.
What is the InChIKey of 2-amino-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]acetic acid?
The InChIKey is MGNOIJISUKSVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-18-8-4-2-3-7(5-8)9-6-14-11(15-9)10(13)12(16)17/h2-6,10H,13H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-amino-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]acetic acid?
2-amino-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]acetic acid has a molecular weight of 247.25 g/mol, XLogP of 1.17, 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-(3-methoxyphenyl)-1H-imidazol-2-yl]acetic acid is sourced from PubChem (CID 116881507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).