2-[2-amino-3-(2-amino-2-oxoethyl)phenyl]acetamide

C10H13N3O2 — CID 139707024

IUPAC2-[2-amino-3-(2-amino-2-oxoethyl)phenyl]acetamide
SMILESNC(=O)Cc1cccc(CC(N)=O)c1N
InChIInChI=1S/C10H13N3O2/c11-8(14)4-6-2-1-3-7(10(6)13)5-9(12)15/h1-3H,4-5,13H2,(H2,11,14)(H2,12,15)
InChIKeyBPQMORRRVXCBAQ-UHFFFAOYSA-N
MW207.23 g/mol
LogP-0.68
Rot. Bonds4

About 2-[2-amino-3-(2-amino-2-oxoethyl)phenyl]acetamide

2-[2-amino-3-(2-amino-2-oxoethyl)phenyl]acetamide (PubChem CID 139707024) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-[2-amino-3-(2-amino-2-oxoethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-amino-3-(2-amino-2-oxoethyl)phenyl]acetamide
PubChem CID139707024
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name2-[2-amino-3-(2-amino-2-oxoethyl)phenyl]acetamide
SMILESNC(=O)Cc1cccc(CC(N)=O)c1N
InChIInChI=1S/C10H13N3O2/c11-8(14)4-6-2-1-3-7(10(6)13)5-9(12)15/h1-3H,4-5,13H2,(H2,11,14)(H2,12,15)
InChIKeyBPQMORRRVXCBAQ-UHFFFAOYSA-N
XLogP-0.68
TPSA112.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-amino-3-(2-amino-2-oxoethyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(2-amino-2-oxoethyl)phenyl]acetic acid
CID 91115166
3-(2-amino-2-oxoethyl)-2-hydroxybenzamide
CID 141352477
2-[2-(2-oxopropyl)phenyl]acetamide
CID 174561343
2-(3-chloro-2-fluorophenyl)acetamide
CID 91291585
2-(2-fluorophenyl)acetamide;hydrochloride
CID 68904503
2,6-diethylaniline;propane
CID 174429495
2,6-diethylaniline;iron(2+)
CID 175873065
2-(2-amino-3-iodophenyl)acetic acid
CID 91873765
2-tetracen-1-ylacetamide
CID 139927285
2-(3-methoxy-2-methylphenyl)acetamide
CID 141044512
2-(2-ethynylphenyl)acetamide
CID 53342997
2-[2-(difluoromethyl)phenyl]acetamide
CID 175751823

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-3-(2-amino-2-oxoethyl)phenyl]acetamide?
The IUPAC name of 2-[2-amino-3-(2-amino-2-oxoethyl)phenyl]acetamide (CID 139707024) is 2-[2-amino-3-(2-amino-2-oxoethyl)phenyl]acetamide.
What is the SMILES notation for 2-[2-amino-3-(2-amino-2-oxoethyl)phenyl]acetamide?
The canonical SMILES for 2-[2-amino-3-(2-amino-2-oxoethyl)phenyl]acetamide is NC(=O)Cc1cccc(CC(N)=O)c1N.
What is the InChIKey of 2-[2-amino-3-(2-amino-2-oxoethyl)phenyl]acetamide?
The InChIKey is BPQMORRRVXCBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c11-8(14)4-6-2-1-3-7(10(6)13)5-9(12)15/h1-3H,4-5,13H2,(H2,11,14)(H2,12,15).
What are the key properties of 2-[2-amino-3-(2-amino-2-oxoethyl)phenyl]acetamide?
2-[2-amino-3-(2-amino-2-oxoethyl)phenyl]acetamide has a molecular weight of 207.23 g/mol, XLogP of -0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-3-(2-amino-2-oxoethyl)phenyl]acetamide is sourced from PubChem (CID 139707024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).