ethyl acetate;2-pyridin-2-ylacetic acid

C11H15NO4 — CID 70044808

IUPACethyl acetate;2-pyridin-2-ylacetic acid
SMILESCCOC(C)=O.O=C(O)Cc1ccccn1
InChIInChI=1S/C7H7NO2.C4H8O2/c9-7(10)5-6-3-1-2-4-8-6;1-3-6-4(2)5/h1-4H,5H2,(H,9,10);3H2,1-2H3
InChIKeyLYEWJUQTCPOXLM-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.28
Rot. Bonds3

About ethyl acetate;2-pyridin-2-ylacetic acid

ethyl acetate;2-pyridin-2-ylacetic acid (PubChem CID 70044808) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is ethyl acetate;2-pyridin-2-ylacetic acid.

Molecular Properties

Compound Nameethyl acetate;2-pyridin-2-ylacetic acid
PubChem CID70044808
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Nameethyl acetate;2-pyridin-2-ylacetic acid
SMILESCCOC(C)=O.O=C(O)Cc1ccccn1
InChIInChI=1S/C7H7NO2.C4H8O2/c9-7(10)5-6-3-1-2-4-8-6;1-3-6-4(2)5/h1-4H,5H2,(H,9,10);3H2,1-2H3
InChIKeyLYEWJUQTCPOXLM-UHFFFAOYSA-N
XLogP1.28
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl acetate;2-pyridin-2-ylacetic acid 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

CID 131857449
CID 131857449
ethyl 2-[methyl-(2-pyridin-2-ylacetyl)amino]acetate
CID 55003377
acetic acid;ethyl acetate;methanol;toluene
CID 19857576
acetic acid;2-ethylpyridine
CID 70072313
ethyl acetate;toluene
CID 66707740
ethyl acetate;toluene
CID 70093554
ethyl 2-[(2-pyridin-2-ylacetyl)amino]acetate
CID 55026375
ethyl (2R)-2-amino-3-pyridin-2-ylpropanoate
CID 57496737
triethoxysilylmethyl 2-pyridin-2-ylacetate
CID 68838862
ethane;2-ethylpyridine;propan-2-one
CID 91062133
acetic acid;2-propylpyridine;hydrobromide
CID 70094168
N,N-dipropyl-2-pyridin-2-ylacetamide
CID 110696960

Frequently Asked Questions

What is the IUPAC name of ethyl acetate;2-pyridin-2-ylacetic acid?
The IUPAC name of ethyl acetate;2-pyridin-2-ylacetic acid (CID 70044808) is ethyl acetate;2-pyridin-2-ylacetic acid.
What is the SMILES notation for ethyl acetate;2-pyridin-2-ylacetic acid?
The canonical SMILES for ethyl acetate;2-pyridin-2-ylacetic acid is CCOC(C)=O.O=C(O)Cc1ccccn1.
What is the InChIKey of ethyl acetate;2-pyridin-2-ylacetic acid?
The InChIKey is LYEWJUQTCPOXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2.C4H8O2/c9-7(10)5-6-3-1-2-4-8-6;1-3-6-4(2)5/h1-4H,5H2,(H,9,10);3H2,1-2H3.
What are the key properties of ethyl acetate;2-pyridin-2-ylacetic acid?
ethyl acetate;2-pyridin-2-ylacetic acid has a molecular weight of 225.24 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl acetate;2-pyridin-2-ylacetic acid is sourced from PubChem (CID 70044808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).