2-amino-2-[3-(3-methyl-2-oxoimidazol-1-yl)phenyl]acetic acid

C12H13N3O3 — CID 117369952

IUPAC2-amino-2-[3-(3-methyl-2-oxoimidazol-1-yl)phenyl]acetic acid
SMILESCn1ccn(-c2cccc(C(N)C(=O)O)c2)c1=O
InChIInChI=1S/C12H13N3O3/c1-14-5-6-15(12(14)18)9-4-2-3-8(7-9)10(13)11(16)17/h2-7,10H,13H2,1H3,(H,16,17)
InChIKeyXWGMIFHKUZPKQT-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.26
Rot. Bonds3

About 2-amino-2-[3-(3-methyl-2-oxoimidazol-1-yl)phenyl]acetic acid

2-amino-2-[3-(3-methyl-2-oxoimidazol-1-yl)phenyl]acetic acid (PubChem CID 117369952) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-amino-2-[3-(3-methyl-2-oxoimidazol-1-yl)phenyl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[3-(3-methyl-2-oxoimidazol-1-yl)phenyl]acetic acid
PubChem CID117369952
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name2-amino-2-[3-(3-methyl-2-oxoimidazol-1-yl)phenyl]acetic acid
SMILESCn1ccn(-c2cccc(C(N)C(=O)O)c2)c1=O
InChIInChI=1S/C12H13N3O3/c1-14-5-6-15(12(14)18)9-4-2-3-8(7-9)10(13)11(16)17/h2-7,10H,13H2,1H3,(H,16,17)
InChIKeyXWGMIFHKUZPKQT-UHFFFAOYSA-N
XLogP0.26
TPSA90.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 117367558
2-amino-2-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]acetic acid
CID 117444231
2-amino-2-(3-methylphenyl)acetic acid;hydrochloride
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(2R)-2-amino-2-(3-bromophenyl)acetic acid
CID 7033009
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CID 18446848
(2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid
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(2R)-2-amino-2-(3-chlorophenyl)acetic acid;hydrochloride
CID 91800311
2-amino-2-[3-(2-hydroxypropan-2-yl)phenyl]acetic acid
CID 117115033
1-[3-[(E)-3-aminoprop-1-enyl]phenyl]-3-methylimidazol-2-one
CID 117330738
CID 172809734
CID 172809734
2-amino-2-[3-(1-methylpiperidin-4-yl)phenyl]acetic acid
CID 117374139
2-amino-2-[3-[3-[3-methyl-4-[4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]phenyl]acetic acid
CID 178108897

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[3-(3-methyl-2-oxoimidazol-1-yl)phenyl]acetic acid?
The IUPAC name of 2-amino-2-[3-(3-methyl-2-oxoimidazol-1-yl)phenyl]acetic acid (CID 117369952) is 2-amino-2-[3-(3-methyl-2-oxoimidazol-1-yl)phenyl]acetic acid.
What is the SMILES notation for 2-amino-2-[3-(3-methyl-2-oxoimidazol-1-yl)phenyl]acetic acid?
The canonical SMILES for 2-amino-2-[3-(3-methyl-2-oxoimidazol-1-yl)phenyl]acetic acid is Cn1ccn(-c2cccc(C(N)C(=O)O)c2)c1=O.
What is the InChIKey of 2-amino-2-[3-(3-methyl-2-oxoimidazol-1-yl)phenyl]acetic acid?
The InChIKey is XWGMIFHKUZPKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-14-5-6-15(12(14)18)9-4-2-3-8(7-9)10(13)11(16)17/h2-7,10H,13H2,1H3,(H,16,17).
What are the key properties of 2-amino-2-[3-(3-methyl-2-oxoimidazol-1-yl)phenyl]acetic acid?
2-amino-2-[3-(3-methyl-2-oxoimidazol-1-yl)phenyl]acetic acid has a molecular weight of 247.25 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[3-(3-methyl-2-oxoimidazol-1-yl)phenyl]acetic acid is sourced from PubChem (CID 117369952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).