(3-amino-3-oxopropyl) 2-(3-aminophenyl)acetate

C11H14N2O3 — CID 62500505

IUPAC(3-amino-3-oxopropyl) 2-(3-aminophenyl)acetate
SMILESNC(=O)CCOC(=O)Cc1cccc(N)c1
InChIInChI=1S/C11H14N2O3/c12-9-3-1-2-8(6-9)7-11(15)16-5-4-10(13)14/h1-3,6H,4-5,7,12H2,(H2,13,14)
InChIKeyNOGDXAIZPDLBNY-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.23
Rot. Bonds5

About (3-amino-3-oxopropyl) 2-(3-aminophenyl)acetate

(3-amino-3-oxopropyl) 2-(3-aminophenyl)acetate (PubChem CID 62500505) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is (3-amino-3-oxopropyl) 2-(3-aminophenyl)acetate.

Molecular Properties

Compound Name(3-amino-3-oxopropyl) 2-(3-aminophenyl)acetate
PubChem CID62500505
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name(3-amino-3-oxopropyl) 2-(3-aminophenyl)acetate
SMILESNC(=O)CCOC(=O)Cc1cccc(N)c1
InChIInChI=1S/C11H14N2O3/c12-9-3-1-2-8(6-9)7-11(15)16-5-4-10(13)14/h1-3,6H,4-5,7,12H2,(H2,13,14)
InChIKeyNOGDXAIZPDLBNY-UHFFFAOYSA-N
XLogP0.23
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3-amino-3-oxopropyl) 2-(3-aminophenyl)acetate 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-amino-2-oxoethyl) 2-(3-aminophenyl)acetate
CID 62499377
[3-(methylamino)-3-oxopropyl] 2-(3-aminophenyl)acetate
CID 62500028
methyl 4-[2-(3-aminophenyl)acetyl]oxybutanoate
CID 62498068
5-hydroxypentyl 2-(3-aminophenyl)acetate
CID 62500174
2-(diethylamino)ethyl 2-(3-aminophenyl)acetate
CID 62499206
(3-amino-3-oxopropyl) 2-(3-aminophenoxy)acetate
CID 54979087
2,2-difluoroethyl 2-(3-aminophenyl)acetate
CID 62500335
phenylmethoxymethyl 2-(3-aminophenyl)acetate
CID 102940348
[2-(dimethylamino)-2-oxoethyl] 2-(3-aminophenyl)acetate
CID 62499868
6-(3-aminophenyl)hexanamide
CID 121009137
(3-methoxy-3-oxopropyl) 3-(3-aminophenyl)propanoate
CID 80701078
2-(3-aminophenyl)acetic acid;2-phenylacetamide
CID 157497347

Frequently Asked Questions

What is the IUPAC name of (3-amino-3-oxopropyl) 2-(3-aminophenyl)acetate?
The IUPAC name of (3-amino-3-oxopropyl) 2-(3-aminophenyl)acetate (CID 62500505) is (3-amino-3-oxopropyl) 2-(3-aminophenyl)acetate.
What is the SMILES notation for (3-amino-3-oxopropyl) 2-(3-aminophenyl)acetate?
The canonical SMILES for (3-amino-3-oxopropyl) 2-(3-aminophenyl)acetate is NC(=O)CCOC(=O)Cc1cccc(N)c1.
What is the InChIKey of (3-amino-3-oxopropyl) 2-(3-aminophenyl)acetate?
The InChIKey is NOGDXAIZPDLBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c12-9-3-1-2-8(6-9)7-11(15)16-5-4-10(13)14/h1-3,6H,4-5,7,12H2,(H2,13,14).
What are the key properties of (3-amino-3-oxopropyl) 2-(3-aminophenyl)acetate?
(3-amino-3-oxopropyl) 2-(3-aminophenyl)acetate has a molecular weight of 222.24 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-3-oxopropyl) 2-(3-aminophenyl)acetate is sourced from PubChem (CID 62500505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).