2-[[(2R)-2-(2-chloro-4-fluorophenoxy)propanoyl]-(oxan-4-yl)amino]acetic acid

C16H19ClFNO5 — CID 125152341

IUPAC2-[[(2R)-2-(2-chloro-4-fluorophenoxy)propanoyl]-(oxan-4-yl)amino]acetic acid
SMILESC[C@@H](Oc1ccc(F)cc1Cl)C(=O)N(CC(=O)O)C1CCOCC1
InChIInChI=1S/C16H19ClFNO5/c1-10(24-14-3-2-11(18)8-13(14)17)16(22)19(9-15(20)21)12-4-6-23-7-5-12/h2-3,8,10,12H,4-7,9H2,1H3,(H,20,21)/t10-/m1/s1
InChIKeyOCNRYWWPUKNNHW-SNVBAGLBSA-N
MW359.78 g/mol
LogP2.34
Rot. Bonds6

About 2-[[(2R)-2-(2-chloro-4-fluorophenoxy)propanoyl]-(oxan-4-yl)amino]acetic acid

2-[[(2R)-2-(2-chloro-4-fluorophenoxy)propanoyl]-(oxan-4-yl)amino]acetic acid (PubChem CID 125152341) has the molecular formula C16H19ClFNO5 and a molecular weight of 359.78 g/mol. Its IUPAC name is 2-[[(2R)-2-(2-chloro-4-fluorophenoxy)propanoyl]-(oxan-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[[(2R)-2-(2-chloro-4-fluorophenoxy)propanoyl]-(oxan-4-yl)amino]acetic acid
PubChem CID125152341
Molecular FormulaC16H19ClFNO5
Molecular Weight359.78 g/mol
Exact Mass359.09
IUPAC Name2-[[(2R)-2-(2-chloro-4-fluorophenoxy)propanoyl]-(oxan-4-yl)amino]acetic acid
SMILESC[C@@H](Oc1ccc(F)cc1Cl)C(=O)N(CC(=O)O)C1CCOCC1
InChIInChI=1S/C16H19ClFNO5/c1-10(24-14-3-2-11(18)8-13(14)17)16(22)19(9-15(20)21)12-4-6-23-7-5-12/h2-3,8,10,12H,4-7,9H2,1H3,(H,20,21)/t10-/m1/s1
InChIKeyOCNRYWWPUKNNHW-SNVBAGLBSA-N
XLogP2.34
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.78
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[(2R)-2-(2-chloro-4-fluorophenoxy)propanoyl]-(oxan-4-yl)amino]acetic acid with MolForge

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Related Compounds

2-[2-(2-cyanophenoxy)propanoyl-(oxan-4-yl)amino]acetic acid
CID 119211409
2-(2-chloro-4-fluorophenoxy)-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylpropanamide
CID 86944611
(2S)-2-(2-chloro-4-fluorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpropanamide
CID 41188037
3-[[(2R)-2-(4-chloro-3-methylphenoxy)propanoyl]-(oxan-4-yl)amino]propanoic acid
CID 125150239
2-[[2-(2,5-difluorophenyl)acetyl]-(oxan-4-yl)amino]acetic acid
CID 119211258
6-[2-(2-chloro-4-fluorophenoxy)propanoylamino]hexanoic acid
CID 119220168
N-cyclobutyl-2-(2,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide
CID 102684163
1-[(2S)-2-(2-chloro-4-fluorophenoxy)propanoyl]piperidine-4-carboxylic acid
CID 124695068
3-[carboxymethyl(oxan-4-yl)amino]-2-methyl-3-oxopropanoic acid
CID 166239721
3-[[(2R)-2-(2-cyanophenoxy)propanoyl]-(oxan-4-yl)amino]propanoic acid
CID 125151991
(2R)-2-(2-chloro-4-fluorophenoxy)-N-[2-[(2S)-oxolan-2-yl]ethyl]propanamide
CID 96533309
2-(2-chloro-4-fluorophenoxy)-N-(4-methylcyclohexyl)propanamide
CID 78840990

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-(2-chloro-4-fluorophenoxy)propanoyl]-(oxan-4-yl)amino]acetic acid?
The IUPAC name of 2-[[(2R)-2-(2-chloro-4-fluorophenoxy)propanoyl]-(oxan-4-yl)amino]acetic acid (CID 125152341) is 2-[[(2R)-2-(2-chloro-4-fluorophenoxy)propanoyl]-(oxan-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[[(2R)-2-(2-chloro-4-fluorophenoxy)propanoyl]-(oxan-4-yl)amino]acetic acid?
The canonical SMILES for 2-[[(2R)-2-(2-chloro-4-fluorophenoxy)propanoyl]-(oxan-4-yl)amino]acetic acid is C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N(CC(=O)O)C1CCOCC1.
What is the InChIKey of 2-[[(2R)-2-(2-chloro-4-fluorophenoxy)propanoyl]-(oxan-4-yl)amino]acetic acid?
The InChIKey is OCNRYWWPUKNNHW-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H19ClFNO5/c1-10(24-14-3-2-11(18)8-13(14)17)16(22)19(9-15(20)21)12-4-6-23-7-5-12/h2-3,8,10,12H,4-7,9H2,1H3,(H,20,21)/t10-/m1/s1.
What are the key properties of 2-[[(2R)-2-(2-chloro-4-fluorophenoxy)propanoyl]-(oxan-4-yl)amino]acetic acid?
2-[[(2R)-2-(2-chloro-4-fluorophenoxy)propanoyl]-(oxan-4-yl)amino]acetic acid has a molecular weight of 359.78 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-(2-chloro-4-fluorophenoxy)propanoyl]-(oxan-4-yl)amino]acetic acid is sourced from PubChem (CID 125152341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).