ethyl 2-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]propanoate

C14H18FNO4 — CID 47368271

IUPACethyl 2-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C14H18FNO4/c1-4-20-14(18)9(2)16-13(17)8-10-5-6-12(19-3)11(15)7-10/h5-7,9H,4,8H2,1-3H3,(H,16,17)
InChIKeyWSUAOYSICXARKC-UHFFFAOYSA-N
MW283.30 g/mol
LogP1.44
Rot. Bonds6

About ethyl 2-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]propanoate

ethyl 2-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]propanoate (PubChem CID 47368271) has the molecular formula C14H18FNO4 and a molecular weight of 283.30 g/mol. Its IUPAC name is ethyl 2-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]propanoate
PubChem CID47368271
Molecular FormulaC14H18FNO4
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC Nameethyl 2-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C14H18FNO4/c1-4-20-14(18)9(2)16-13(17)8-10-5-6-12(19-3)11(15)7-10/h5-7,9H,4,8H2,1-3H3,(H,16,17)
InChIKeyWSUAOYSICXARKC-UHFFFAOYSA-N
XLogP1.44
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[[2-(3-fluoro-4-methoxyphenyl)acetyl]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

(2S)-2-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]pentanoic acid
CID 107564593
N-(1-aminohexan-2-yl)-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 119664954
2-(3-fluoro-4-methoxyphenyl)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 9264320
N-(1-aminohexan-2-yl)-2-(3-fluoro-4-methoxyphenyl)acetamide;hydrochloride
CID 119664953
[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667630
2-(3-fluoro-4-methoxyphenyl)-N-[(1R)-1-phenylethyl]acetamide
CID 9032944
N-[1-(4-chlorophenyl)propyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 18158666
1-(3-fluoro-4-methoxyphenyl)-3-hydroxybutan-2-one
CID 103451541
2-(3-fluoro-4-methoxyphenyl)-N-(1-naphthalen-2-ylethyl)acetamide
CID 46599158
2-[[2-(3-ethyl-4-methoxyphenyl)acetyl]amino]propanoic acid
CID 112513636
3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-one
CID 116708613
2-(3-fluoro-4-methoxyphenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 38196743

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]propanoate?
The IUPAC name of ethyl 2-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]propanoate (CID 47368271) is ethyl 2-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]propanoate.
What is the SMILES notation for ethyl 2-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]propanoate?
The canonical SMILES for ethyl 2-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]propanoate is CCOC(=O)C(C)NC(=O)Cc1ccc(OC)c(F)c1.
What is the InChIKey of ethyl 2-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]propanoate?
The InChIKey is WSUAOYSICXARKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO4/c1-4-20-14(18)9(2)16-13(17)8-10-5-6-12(19-3)11(15)7-10/h5-7,9H,4,8H2,1-3H3,(H,16,17).
What are the key properties of ethyl 2-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]propanoate?
ethyl 2-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]propanoate has a molecular weight of 283.30 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]propanoate is sourced from PubChem (CID 47368271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).