Imidazole,2-amino-5-[(2-carboxy)vinyl]-

Imidazole,2-amino-5-[(2-carboxy)vinyl]-
Compound Structure:
Synonyms: (E)-3-(2-amino-1H-imidazol-5-yl)prop-2-enoic acid; Imidazole, 2-amino-5-[(2-carboxy)vinyl]-; (2E)-3-(2-Amino-1H-imidazol-5-yl)-2-propenoic acid
Compound ID: NMPC-1138
PubChem ID:

5364104
Molecular Formula: C6H7N3O2
Canonical SMILES: C1=C(NC(=N1)N)C=CC(=O)O
InChIKey: MTYDACZSYUGMLT-OWOJBTEDSA-N
About the compound:
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

153.14 g/mol

XLogP3-AA

-0.3

Hydrogen Bond Donor Count

3

Hydrogen Bond Acceptor Count

4

Rotatable Bond Count

2

Exact Mass

153.053826475 g/mol

Monoisotopic Mass

153.053826475 g/mol

Topological Polar Surface Area

92Ų

Heavy Atom Count

11

Formal Charge

0

Complexity

181

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

1

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem                       

            
Source Species: Rauvolfia vomitoria
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