amino 2-amino-5-carbamoylbenzoate

C8H9N3O3 — CID 174360962

IUPACamino 2-amino-5-carbamoylbenzoate
SMILESNOC(=O)c1cc(C(N)=O)ccc1N
InChIInChI=1S/C8H9N3O3/c9-6-2-1-4(7(10)12)3-5(6)8(13)14-11/h1-3H,9,11H2,(H2,10,12)
InChIKeyAGXMNLQVXJVKGY-UHFFFAOYSA-N
MW195.18 g/mol
LogP-0.60
Rot. Bonds2

About amino 2-amino-5-carbamoylbenzoate

amino 2-amino-5-carbamoylbenzoate (PubChem CID 174360962) has the molecular formula C8H9N3O3 and a molecular weight of 195.18 g/mol. Its IUPAC name is amino 2-amino-5-carbamoylbenzoate.

Molecular Properties

Compound Nameamino 2-amino-5-carbamoylbenzoate
PubChem CID174360962
Molecular FormulaC8H9N3O3
Molecular Weight195.18 g/mol
Exact Mass195.06
IUPAC Nameamino 2-amino-5-carbamoylbenzoate
SMILESNOC(=O)c1cc(C(N)=O)ccc1N
InChIInChI=1S/C8H9N3O3/c9-6-2-1-4(7(10)12)3-5(6)8(13)14-11/h1-3H,9,11H2,(H2,10,12)
InChIKeyAGXMNLQVXJVKGY-UHFFFAOYSA-N
XLogP-0.60
TPSA121.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of amino 2-amino-5-carbamoylbenzoate?
The IUPAC name of amino 2-amino-5-carbamoylbenzoate (CID 174360962) is amino 2-amino-5-carbamoylbenzoate.
What is the SMILES notation for amino 2-amino-5-carbamoylbenzoate?
The canonical SMILES for amino 2-amino-5-carbamoylbenzoate is NOC(=O)c1cc(C(N)=O)ccc1N.
What is the InChIKey of amino 2-amino-5-carbamoylbenzoate?
The InChIKey is AGXMNLQVXJVKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3/c9-6-2-1-4(7(10)12)3-5(6)8(13)14-11/h1-3H,9,11H2,(H2,10,12).
What are the key properties of amino 2-amino-5-carbamoylbenzoate?
amino 2-amino-5-carbamoylbenzoate has a molecular weight of 195.18 g/mol, XLogP of -0.60, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for amino 2-amino-5-carbamoylbenzoate is sourced from PubChem (CID 174360962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).