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

C10H12N2O3 — CID 62499377

IUPAC(2-amino-2-oxoethyl) 2-(3-aminophenyl)acetate
SMILESNC(=O)COC(=O)Cc1cccc(N)c1
InChIInChI=1S/C10H12N2O3/c11-8-3-1-2-7(4-8)5-10(14)15-6-9(12)13/h1-4H,5-6,11H2,(H2,12,13)
InChIKeyGNFOJZJCGRCOCG-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.16
Rot. Bonds4

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

(2-amino-2-oxoethyl) 2-(3-aminophenyl)acetate (PubChem CID 62499377) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 2-(3-aminophenyl)acetate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 2-(3-aminophenyl)acetate
PubChem CID62499377
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name(2-amino-2-oxoethyl) 2-(3-aminophenyl)acetate
SMILESNC(=O)COC(=O)Cc1cccc(N)c1
InChIInChI=1S/C10H12N2O3/c11-8-3-1-2-7(4-8)5-10(14)15-6-9(12)13/h1-4H,5-6,11H2,(H2,12,13)
InChIKeyGNFOJZJCGRCOCG-UHFFFAOYSA-N
XLogP-0.16
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-amino-3-oxopropyl) 2-(3-aminophenyl)acetate
CID 62500505
[2-(dimethylamino)-2-oxoethyl] 2-(3-aminophenyl)acetate
CID 62499868
2,2-difluoroethyl 2-(3-aminophenyl)acetate
CID 62500335
phenylmethoxymethyl 2-(3-aminophenyl)acetate
CID 102940348
5-hydroxypentyl 2-(3-aminophenyl)acetate
CID 62500174
2-(3-aminophenyl)acetic acid;2-phenylacetamide
CID 157497347
methyl 4-[2-(3-aminophenyl)acetyl]oxybutanoate
CID 62498068
2-(diethylamino)ethyl 2-(3-aminophenyl)acetate
CID 62499206
[3-(methylamino)-3-oxopropyl] 2-(3-aminophenyl)acetate
CID 62500028
(3-cyanophenyl)methyl 2-(3-aminophenyl)acetate
CID 62499042
2-[3-(3-aminophenyl)propanoyloxy]acetic acid
CID 80701511
cycloheptyl 2-(3-aminophenyl)acetate
CID 62499374

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 2-(3-aminophenyl)acetate?
The IUPAC name of (2-amino-2-oxoethyl) 2-(3-aminophenyl)acetate (CID 62499377) is (2-amino-2-oxoethyl) 2-(3-aminophenyl)acetate.
What is the SMILES notation for (2-amino-2-oxoethyl) 2-(3-aminophenyl)acetate?
The canonical SMILES for (2-amino-2-oxoethyl) 2-(3-aminophenyl)acetate is NC(=O)COC(=O)Cc1cccc(N)c1.
What is the InChIKey of (2-amino-2-oxoethyl) 2-(3-aminophenyl)acetate?
The InChIKey is GNFOJZJCGRCOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c11-8-3-1-2-7(4-8)5-10(14)15-6-9(12)13/h1-4H,5-6,11H2,(H2,12,13).
What are the key properties of (2-amino-2-oxoethyl) 2-(3-aminophenyl)acetate?
(2-amino-2-oxoethyl) 2-(3-aminophenyl)acetate has a molecular weight of 208.22 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 2-(3-aminophenyl)acetate is sourced from PubChem (CID 62499377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).