2-amino-2-(4-amino-3-cyanophenyl)acetic acid

C9H9N3O2 — CID 77127940

IUPAC2-amino-2-(4-amino-3-cyanophenyl)acetic acid
SMILESN#Cc1cc(C(N)C(=O)O)ccc1N
InChIInChI=1S/C9H9N3O2/c10-4-6-3-5(1-2-7(6)11)8(12)9(13)14/h1-3,8H,11-12H2,(H,13,14)
InChIKeyGYCRANFKXIPJOK-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.22
Rot. Bonds2

About 2-amino-2-(4-amino-3-cyanophenyl)acetic acid

2-amino-2-(4-amino-3-cyanophenyl)acetic acid (PubChem CID 77127940) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 2-amino-2-(4-amino-3-cyanophenyl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(4-amino-3-cyanophenyl)acetic acid
PubChem CID77127940
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name2-amino-2-(4-amino-3-cyanophenyl)acetic acid
SMILESN#Cc1cc(C(N)C(=O)O)ccc1N
InChIInChI=1S/C9H9N3O2/c10-4-6-3-5(1-2-7(6)11)8(12)9(13)14/h1-3,8H,11-12H2,(H,13,14)
InChIKeyGYCRANFKXIPJOK-UHFFFAOYSA-N
XLogP0.22
TPSA113.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-amino-3-cyanophenyl)acetic acid?
The IUPAC name of 2-amino-2-(4-amino-3-cyanophenyl)acetic acid (CID 77127940) is 2-amino-2-(4-amino-3-cyanophenyl)acetic acid.
What is the SMILES notation for 2-amino-2-(4-amino-3-cyanophenyl)acetic acid?
The canonical SMILES for 2-amino-2-(4-amino-3-cyanophenyl)acetic acid is N#Cc1cc(C(N)C(=O)O)ccc1N.
What is the InChIKey of 2-amino-2-(4-amino-3-cyanophenyl)acetic acid?
The InChIKey is GYCRANFKXIPJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c10-4-6-3-5(1-2-7(6)11)8(12)9(13)14/h1-3,8H,11-12H2,(H,13,14).
What are the key properties of 2-amino-2-(4-amino-3-cyanophenyl)acetic acid?
2-amino-2-(4-amino-3-cyanophenyl)acetic acid has a molecular weight of 191.19 g/mol, XLogP of 0.22, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-amino-3-cyanophenyl)acetic acid is sourced from PubChem (CID 77127940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).