2-amino-2-[(4-chlorophenyl)methylimino]acetic acid

C9H9ClN2O2 — CID 89286361

IUPAC2-amino-2-[(4-chlorophenyl)methylimino]acetic acid
SMILESN/C(=N\Cc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C9H9ClN2O2/c10-7-3-1-6(2-4-7)5-12-8(11)9(13)14/h1-4H,5H2,(H2,11,12)(H,13,14)
InChIKeyLDAZOBCEYYVSOW-UHFFFAOYSA-N
MW212.64 g/mol
LogP1.28
Rot. Bonds2

About 2-amino-2-[(4-chlorophenyl)methylimino]acetic acid

2-amino-2-[(4-chlorophenyl)methylimino]acetic acid (PubChem CID 89286361) has the molecular formula C9H9ClN2O2 and a molecular weight of 212.64 g/mol. Its IUPAC name is 2-amino-2-[(4-chlorophenyl)methylimino]acetic acid.

Molecular Properties

Compound Name2-amino-2-[(4-chlorophenyl)methylimino]acetic acid
PubChem CID89286361
Molecular FormulaC9H9ClN2O2
Molecular Weight212.64 g/mol
Exact Mass212.04
IUPAC Name2-amino-2-[(4-chlorophenyl)methylimino]acetic acid
SMILESN/C(=N\Cc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C9H9ClN2O2/c10-7-3-1-6(2-4-7)5-12-8(11)9(13)14/h1-4H,5H2,(H2,11,12)(H,13,14)
InChIKeyLDAZOBCEYYVSOW-UHFFFAOYSA-N
XLogP1.28
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 51.28
H-Bond Donors ≤ 52
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

N'-[(4-chlorophenyl)methyl]-2-methylpropanimidamide
CID 63174015
2-[(4-chlorophenyl)methyl]-1,1-diethylguanidine;hydroiodide
CID 111022759
3-(4-chlorophenyl)propanoic acid;guanidine
CID 69413371
N'-[(4-chlorophenyl)methyl]-4-[5-[4-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]phenyl]furan-2-yl]benzenecarboximidamide
CID 169205783
N'-[(4-chlorophenyl)methyl]-4-[2-[4-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]phenyl]propan-2-yl]benzenecarboximidamide
CID 170270607
(Z)-2,3-diamino-3-[amino-[(4-chlorophenyl)methyl]amino]prop-2-enoic acid
CID 144730892
N'-benzyl-1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboximidamide
CID 54558156
1-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]-2-[(2,4-dichlorophenyl)methyl]guanidine
CID 15598981
2-[(4-chlorophenyl)methyl]-1-cyclopropyl-1-methylguanidine;hydroiodide
CID 110029377
2-[(4-chlorophenyl)methyl]-1-(3-methylbutyl)guanidine
CID 111022749
1,3-bis(4-chlorophenyl)propan-2-one
CID 11097890
2-[(4-chlorophenyl)methyl]-1-(3,5-dimethylphenyl)guanidine;hydroiodide
CID 111022755

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[(4-chlorophenyl)methylimino]acetic acid?
The IUPAC name of 2-amino-2-[(4-chlorophenyl)methylimino]acetic acid (CID 89286361) is 2-amino-2-[(4-chlorophenyl)methylimino]acetic acid.
What is the SMILES notation for 2-amino-2-[(4-chlorophenyl)methylimino]acetic acid?
The canonical SMILES for 2-amino-2-[(4-chlorophenyl)methylimino]acetic acid is N/C(=N\Cc1ccc(Cl)cc1)C(=O)O.
What is the InChIKey of 2-amino-2-[(4-chlorophenyl)methylimino]acetic acid?
The InChIKey is LDAZOBCEYYVSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O2/c10-7-3-1-6(2-4-7)5-12-8(11)9(13)14/h1-4H,5H2,(H2,11,12)(H,13,14).
What are the key properties of 2-amino-2-[(4-chlorophenyl)methylimino]acetic acid?
2-amino-2-[(4-chlorophenyl)methylimino]acetic acid has a molecular weight of 212.64 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[(4-chlorophenyl)methylimino]acetic acid is sourced from PubChem (CID 89286361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).