2-amino-2-(2-phenylethanimidoyl)iminoacetic acid

C10H11N3O2 — CID 174082835

IUPAC2-amino-2-(2-phenylethanimidoyl)iminoacetic acid
SMILES[H]/N=C(Cc1ccccc1)\N=C(/N)C(=O)O
InChIInChI=1S/C10H11N3O2/c11-8(13-9(12)10(14)15)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,14,15)(H3,11,12,13)
InChIKeyVBSCHWXAJMINEP-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.65
Rot. Bonds2

About 2-amino-2-(2-phenylethanimidoyl)iminoacetic acid

2-amino-2-(2-phenylethanimidoyl)iminoacetic acid (PubChem CID 174082835) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 2-amino-2-(2-phenylethanimidoyl)iminoacetic acid.

Molecular Properties

Compound Name2-amino-2-(2-phenylethanimidoyl)iminoacetic acid
PubChem CID174082835
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name2-amino-2-(2-phenylethanimidoyl)iminoacetic acid
SMILES[H]/N=C(Cc1ccccc1)\N=C(/N)C(=O)O
InChIInChI=1S/C10H11N3O2/c11-8(13-9(12)10(14)15)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,14,15)(H3,11,12,13)
InChIKeyVBSCHWXAJMINEP-UHFFFAOYSA-N
XLogP0.65
TPSA99.53 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-phenylethanimidamide
CID 27787
2-phenylethanimidate
CID 23369568
1-imino-3-phenylpropan-2-one
CID 54129851
1,4-diphenylbut-2-ene-2,3-diamine
CID 67744417
1,3-diphenyl(213C)propan-2-one
CID 100945080
CID 66648455
CID 66648455
2-N'-(2-phenylethyl)ethanediimidamide
CID 70522604
2-benzyl-3,3-dihydroxyprop-2-enamide
CID 174845714
3-phenyl-2-sulfanylidenepropanamide
CID 22372575
benzyl carbamimidothioate;hydron;iodide
CID 174804173
3-amino-N-benzyl-3-imino-N-methylpropanamide
CID 99990430
copper 2-phenylacetic acid
CID 54609410

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-phenylethanimidoyl)iminoacetic acid?
The IUPAC name of 2-amino-2-(2-phenylethanimidoyl)iminoacetic acid (CID 174082835) is 2-amino-2-(2-phenylethanimidoyl)iminoacetic acid.
What is the SMILES notation for 2-amino-2-(2-phenylethanimidoyl)iminoacetic acid?
The canonical SMILES for 2-amino-2-(2-phenylethanimidoyl)iminoacetic acid is [H]/N=C(Cc1ccccc1)\N=C(/N)C(=O)O.
What is the InChIKey of 2-amino-2-(2-phenylethanimidoyl)iminoacetic acid?
The InChIKey is VBSCHWXAJMINEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c11-8(13-9(12)10(14)15)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,14,15)(H3,11,12,13).
What are the key properties of 2-amino-2-(2-phenylethanimidoyl)iminoacetic acid?
2-amino-2-(2-phenylethanimidoyl)iminoacetic acid has a molecular weight of 205.22 g/mol, XLogP of 0.65, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-phenylethanimidoyl)iminoacetic acid is sourced from PubChem (CID 174082835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).