3-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-methoxypropanoic acid

C12H13ClFNO4 — CID 114144294

IUPAC3-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)Cc1c(F)cccc1Cl)C(=O)O
InChIInChI=1S/C12H13ClFNO4/c1-19-10(12(17)18)6-15-11(16)5-7-8(13)3-2-4-9(7)14/h2-4,10H,5-6H2,1H3,(H,15,16)(H,17,18)
InChIKeyMILMZARPOVNWGL-UHFFFAOYSA-N
MW289.69 g/mol
LogP1.24
Rot. Bonds6

About 3-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-methoxypropanoic acid

3-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-methoxypropanoic acid (PubChem CID 114144294) has the molecular formula C12H13ClFNO4 and a molecular weight of 289.69 g/mol. Its IUPAC name is 3-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-methoxypropanoic acid
PubChem CID114144294
Molecular FormulaC12H13ClFNO4
Molecular Weight289.69 g/mol
Exact Mass289.05
IUPAC Name3-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)Cc1c(F)cccc1Cl)C(=O)O
InChIInChI=1S/C12H13ClFNO4/c1-19-10(12(17)18)6-15-11(16)5-7-8(13)3-2-4-9(7)14/h2-4,10H,5-6H2,1H3,(H,15,16)(H,17,18)
InChIKeyMILMZARPOVNWGL-UHFFFAOYSA-N
XLogP1.24
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.69
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-methoxypropanoic acid with MolForge

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Related Compounds

3-[(2-chloro-6-fluorobenzoyl)amino]-2-methoxypropanoic acid
CID 106107187
4-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-3-methylbutanoic acid
CID 81063329
2-(2-chloro-6-fluorophenyl)-N-[(2R)-2-hydroxy-3-phenylpropyl]acetamide
CID 98622782
2-(2-chloro-6-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)acetamide
CID 43391266
2-(2-chloro-6-fluorophenyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide
CID 113258587
5-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-methylpentanoic acid
CID 104682499
1-(2-chloro-6-fluorophenyl)-3-methoxypentan-2-one
CID 116707234
2-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]acetamide
CID 111662700
N-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 124892921
2-(2-chloro-6-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]acetamide
CID 86263927
3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-2-methoxypropanoic acid
CID 106108103
N-(2-amino-2-methylpropyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 81483240

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-methoxypropanoic acid?
The IUPAC name of 3-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-methoxypropanoic acid (CID 114144294) is 3-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-methoxypropanoic acid.
What is the SMILES notation for 3-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-methoxypropanoic acid?
The canonical SMILES for 3-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-methoxypropanoic acid is COC(CNC(=O)Cc1c(F)cccc1Cl)C(=O)O.
What is the InChIKey of 3-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-methoxypropanoic acid?
The InChIKey is MILMZARPOVNWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO4/c1-19-10(12(17)18)6-15-11(16)5-7-8(13)3-2-4-9(7)14/h2-4,10H,5-6H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 3-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-methoxypropanoic acid?
3-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-methoxypropanoic acid has a molecular weight of 289.69 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-methoxypropanoic acid is sourced from PubChem (CID 114144294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).