ethyl 2-[(5-fluoro-2-hydroxybenzoyl)amino]propanoate

C12H14FNO4 — CID 115298966

IUPACethyl 2-[(5-fluoro-2-hydroxybenzoyl)amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)c1cc(F)ccc1O
InChIInChI=1S/C12H14FNO4/c1-3-18-12(17)7(2)14-11(16)9-6-8(13)4-5-10(9)15/h4-7,15H,3H2,1-2H3,(H,14,16)
InChIKeyNKANEEDSOXAHBP-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.21
Rot. Bonds4

About ethyl 2-[(5-fluoro-2-hydroxybenzoyl)amino]propanoate

ethyl 2-[(5-fluoro-2-hydroxybenzoyl)amino]propanoate (PubChem CID 115298966) has the molecular formula C12H14FNO4 and a molecular weight of 255.24 g/mol. Its IUPAC name is ethyl 2-[(5-fluoro-2-hydroxybenzoyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(5-fluoro-2-hydroxybenzoyl)amino]propanoate
PubChem CID115298966
Molecular FormulaC12H14FNO4
Molecular Weight255.24 g/mol
Exact Mass255.09
IUPAC Nameethyl 2-[(5-fluoro-2-hydroxybenzoyl)amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)c1cc(F)ccc1O
InChIInChI=1S/C12H14FNO4/c1-3-18-12(17)7(2)14-11(16)9-6-8(13)4-5-10(9)15/h4-7,15H,3H2,1-2H3,(H,14,16)
InChIKeyNKANEEDSOXAHBP-UHFFFAOYSA-N
XLogP1.21
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[(5-fluoro-2-hydroxybenzoyl)amino]propanoate 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

5-fluoro-2-hydroxy-N-(3-oxopentan-2-yl)benzamide
CID 115298768
ethyl 2-[(2-bromo-4-fluorobenzoyl)amino]propanoate
CID 61498783
N-[1-(diethylamino)-1-oxopropan-2-yl]-5-fluoro-2-hydroxybenzamide
CID 115883686
N-(1-aminopentan-2-yl)-5-fluoro-2-hydroxybenzamide
CID 113281709
(2S)-2-[(5-fluoro-2-hydroxybenzoyl)amino]-3-methylpentanoic acid
CID 113281512
methyl 2-[(4-fluoro-2-hydroxybenzoyl)amino]propanoate
CID 107015165
ethyl 2-[(2-fluoro-3-methylbenzoyl)amino]propanoate
CID 80717900
ethyl 2-[(6-fluoro-1-benzothiophene-2-carbonyl)amino]propanoate
CID 78969683
(2S)-2-[(5-fluoro-2-hydroxybenzoyl)amino]hexanoic acid
CID 107144035
N-(4-ethylsulfanylbutan-2-yl)-5-fluoro-2-hydroxybenzamide
CID 115681959
5-fluoro-N-hex-1-yn-3-yl-2-hydroxybenzamide
CID 103529109
ethyl 2-[(6-fluoro-1H-indole-2-carbonyl)amino]propanoate
CID 16677025

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-fluoro-2-hydroxybenzoyl)amino]propanoate?
The IUPAC name of ethyl 2-[(5-fluoro-2-hydroxybenzoyl)amino]propanoate (CID 115298966) is ethyl 2-[(5-fluoro-2-hydroxybenzoyl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(5-fluoro-2-hydroxybenzoyl)amino]propanoate?
The canonical SMILES for ethyl 2-[(5-fluoro-2-hydroxybenzoyl)amino]propanoate is CCOC(=O)C(C)NC(=O)c1cc(F)ccc1O.
What is the InChIKey of ethyl 2-[(5-fluoro-2-hydroxybenzoyl)amino]propanoate?
The InChIKey is NKANEEDSOXAHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO4/c1-3-18-12(17)7(2)14-11(16)9-6-8(13)4-5-10(9)15/h4-7,15H,3H2,1-2H3,(H,14,16).
What are the key properties of ethyl 2-[(5-fluoro-2-hydroxybenzoyl)amino]propanoate?
ethyl 2-[(5-fluoro-2-hydroxybenzoyl)amino]propanoate has a molecular weight of 255.24 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-fluoro-2-hydroxybenzoyl)amino]propanoate is sourced from PubChem (CID 115298966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).