2-amino-4-(2-aminoacetyl)benzamide

C9H11N3O2 — CID 150043769

IUPAC2-amino-4-(2-aminoacetyl)benzamide
SMILESNCC(=O)c1ccc(C(N)=O)c(N)c1
InChIInChI=1S/C9H11N3O2/c10-4-8(13)5-1-2-6(9(12)14)7(11)3-5/h1-3H,4,10-11H2,(H2,12,14)
InChIKeyDJVLJUGLXRQEJQ-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.49
Rot. Bonds3

About 2-amino-4-(2-aminoacetyl)benzamide

2-amino-4-(2-aminoacetyl)benzamide (PubChem CID 150043769) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-amino-4-(2-aminoacetyl)benzamide.

Molecular Properties

Compound Name2-amino-4-(2-aminoacetyl)benzamide
PubChem CID150043769
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name2-amino-4-(2-aminoacetyl)benzamide
SMILESNCC(=O)c1ccc(C(N)=O)c(N)c1
InChIInChI=1S/C9H11N3O2/c10-4-8(13)5-1-2-6(9(12)14)7(11)3-5/h1-3H,4,10-11H2,(H2,12,14)
InChIKeyDJVLJUGLXRQEJQ-UHFFFAOYSA-N
XLogP-0.49
TPSA112.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.49
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-4-(2-aminoacetyl)benzamide?
The IUPAC name of 2-amino-4-(2-aminoacetyl)benzamide (CID 150043769) is 2-amino-4-(2-aminoacetyl)benzamide.
What is the SMILES notation for 2-amino-4-(2-aminoacetyl)benzamide?
The canonical SMILES for 2-amino-4-(2-aminoacetyl)benzamide is NCC(=O)c1ccc(C(N)=O)c(N)c1.
What is the InChIKey of 2-amino-4-(2-aminoacetyl)benzamide?
The InChIKey is DJVLJUGLXRQEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c10-4-8(13)5-1-2-6(9(12)14)7(11)3-5/h1-3H,4,10-11H2,(H2,12,14).
What are the key properties of 2-amino-4-(2-aminoacetyl)benzamide?
2-amino-4-(2-aminoacetyl)benzamide has a molecular weight of 193.21 g/mol, XLogP of -0.49, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-aminoacetyl)benzamide is sourced from PubChem (CID 150043769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).