ethyl 2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]acetate

C12H14FNO4 — CID 79523911

IUPACethyl 2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]acetate
SMILESCCOC(=O)CN(C)C(=O)c1cc(F)ccc1O
InChIInChI=1S/C12H14FNO4/c1-3-18-11(16)7-14(2)12(17)9-6-8(13)4-5-10(9)15/h4-6,15H,3,7H2,1-2H3
InChIKeyNTIDVQDKFDNDGT-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.17
Rot. Bonds4

About ethyl 2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]acetate

ethyl 2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]acetate (PubChem CID 79523911) has the molecular formula C12H14FNO4 and a molecular weight of 255.24 g/mol. Its IUPAC name is ethyl 2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]acetate
PubChem CID79523911
Molecular FormulaC12H14FNO4
Molecular Weight255.24 g/mol
Exact Mass255.09
IUPAC Nameethyl 2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]acetate
SMILESCCOC(=O)CN(C)C(=O)c1cc(F)ccc1O
InChIInChI=1S/C12H14FNO4/c1-3-18-11(16)7-14(2)12(17)9-6-8(13)4-5-10(9)15/h4-6,15H,3,7H2,1-2H3
InChIKeyNTIDVQDKFDNDGT-UHFFFAOYSA-N
XLogP1.17
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]acetate?
The IUPAC name of ethyl 2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]acetate (CID 79523911) is ethyl 2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]acetate.
What is the SMILES notation for ethyl 2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]acetate?
The canonical SMILES for ethyl 2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]acetate is CCOC(=O)CN(C)C(=O)c1cc(F)ccc1O.
What is the InChIKey of ethyl 2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]acetate?
The InChIKey is NTIDVQDKFDNDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO4/c1-3-18-11(16)7-14(2)12(17)9-6-8(13)4-5-10(9)15/h4-6,15H,3,7H2,1-2H3.
What are the key properties of ethyl 2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]acetate?
ethyl 2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]acetate has a molecular weight of 255.24 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]acetate is sourced from PubChem (CID 79523911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).