2-(N,2-diamino-5-chloroanilino)acetic acid

C8H10ClN3O2 — CID 165131295

IUPAC2-(N,2-diamino-5-chloroanilino)acetic acid
SMILESNc1ccc(Cl)cc1N(N)CC(=O)O
InChIInChI=1S/C8H10ClN3O2/c9-5-1-2-6(10)7(3-5)12(11)4-8(13)14/h1-3H,4,10-11H2,(H,13,14)
InChIKeyWIMPOMAJFUVZBY-UHFFFAOYSA-N
MW215.64 g/mol
LogP0.69
Rot. Bonds3

About 2-(N,2-diamino-5-chloroanilino)acetic acid

2-(N,2-diamino-5-chloroanilino)acetic acid (PubChem CID 165131295) has the molecular formula C8H10ClN3O2 and a molecular weight of 215.64 g/mol. Its IUPAC name is 2-(N,2-diamino-5-chloroanilino)acetic acid.

Molecular Properties

Compound Name2-(N,2-diamino-5-chloroanilino)acetic acid
PubChem CID165131295
Molecular FormulaC8H10ClN3O2
Molecular Weight215.64 g/mol
Exact Mass215.05
IUPAC Name2-(N,2-diamino-5-chloroanilino)acetic acid
SMILESNc1ccc(Cl)cc1N(N)CC(=O)O
InChIInChI=1S/C8H10ClN3O2/c9-5-1-2-6(10)7(3-5)12(11)4-8(13)14/h1-3H,4,10-11H2,(H,13,14)
InChIKeyWIMPOMAJFUVZBY-UHFFFAOYSA-N
XLogP0.69
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-amino-N-(2-amino-5-chlorophenyl)hydroxylamine
CID 135265282
2-(2-amino-5-chloro-N-methylanilino)-N,N-dimethylacetamide
CID 115468609
N-(2-amino-5-chlorophenyl)-N-methylacetamide
CID 107465702
2-(2-amino-5-chloro-N-methylanilino)-N-ethyl-N-methylacetamide
CID 107466016
N-(2-amino-5-chlorophenyl)-N-methylbenzamide
CID 107465675
2-[N-(2-aminoethyl)-5-chloro-2-methylanilino]acetic acid
CID 117013506
N-(2-amino-5-chlorophenyl)-N,2,2-trimethylpropanamide
CID 107465612
N-(2-amino-5-chlorophenyl)-N,4-dimethylpentanamide
CID 107465588
3-[N-(carboxymethyl)-2,5-dichloroanilino]propanoic acid
CID 82317020
N-(2-amino-5-chlorophenyl)-N-methyl-2-phenylsulfanylacetamide
CID 107465805
2-(2-amino-5-chloro-N-methylanilino)-N-(cyanomethyl)acetamide
CID 107466058
2-(2-amino-5-chloro-N-methylanilino)-N-pentan-2-ylacetamide
CID 107466147

Frequently Asked Questions

What is the IUPAC name of 2-(N,2-diamino-5-chloroanilino)acetic acid?
The IUPAC name of 2-(N,2-diamino-5-chloroanilino)acetic acid (CID 165131295) is 2-(N,2-diamino-5-chloroanilino)acetic acid.
What is the SMILES notation for 2-(N,2-diamino-5-chloroanilino)acetic acid?
The canonical SMILES for 2-(N,2-diamino-5-chloroanilino)acetic acid is Nc1ccc(Cl)cc1N(N)CC(=O)O.
What is the InChIKey of 2-(N,2-diamino-5-chloroanilino)acetic acid?
The InChIKey is WIMPOMAJFUVZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O2/c9-5-1-2-6(10)7(3-5)12(11)4-8(13)14/h1-3H,4,10-11H2,(H,13,14).
What are the key properties of 2-(N,2-diamino-5-chloroanilino)acetic acid?
2-(N,2-diamino-5-chloroanilino)acetic acid has a molecular weight of 215.64 g/mol, XLogP of 0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N,2-diamino-5-chloroanilino)acetic acid is sourced from PubChem (CID 165131295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).