(2R)-2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-4-methylpentanoic acid

C14H17ClFNO4 — CID 119364207

IUPAC(2R)-2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)COc1ccc(F)c(Cl)c1)C(=O)O
InChIInChI=1S/C14H17ClFNO4/c1-8(2)5-12(14(19)20)17-13(18)7-21-9-3-4-11(16)10(15)6-9/h3-4,6,8,12H,5,7H2,1-2H3,(H,17,18)(H,19,20)/t12-/m1/s1
InChIKeyWPZPJHWVPWARKA-GFCCVEGCSA-N
MW317.74 g/mol
LogP2.47
Rot. Bonds7

About (2R)-2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-4-methylpentanoic acid

(2R)-2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-4-methylpentanoic acid (PubChem CID 119364207) has the molecular formula C14H17ClFNO4 and a molecular weight of 317.74 g/mol. Its IUPAC name is (2R)-2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-4-methylpentanoic acid
PubChem CID119364207
Molecular FormulaC14H17ClFNO4
Molecular Weight317.74 g/mol
Exact Mass317.08
IUPAC Name(2R)-2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)COc1ccc(F)c(Cl)c1)C(=O)O
InChIInChI=1S/C14H17ClFNO4/c1-8(2)5-12(14(19)20)17-13(18)7-21-9-3-4-11(16)10(15)6-9/h3-4,6,8,12H,5,7H2,1-2H3,(H,17,18)(H,19,20)/t12-/m1/s1
InChIKeyWPZPJHWVPWARKA-GFCCVEGCSA-N
XLogP2.47
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.74
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 119586940
2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-4-methoxybutanoic acid
CID 120702011
2-(3-chloro-4-fluorophenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 7751282
(2S)-2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N-ethylpropanamide
CID 9229551
2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]propanediamide
CID 47155227
2-[[2-(4-butoxyphenoxy)acetyl]amino]-4-methylpentanoic acid
CID 4732780
methyl (2R)-2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-3-phenylpropanoate
CID 9229576
2-acetamido-3-(3-chloro-4-fluorophenoxy)propanoic acid
CID 65443573
2-(3-chloro-4-fluorophenoxy)-N-(1-hydroxy-3-phenylbutan-2-yl)acetamide
CID 146087967
(2R)-2-[[2-(3,5-dimethylphenoxy)acetyl]amino]-4-methylpentanoic acid
CID 78975873
(2R)-2-[[2-(2,4-difluorophenoxy)acetyl]amino]-4-methylpentanoic acid
CID 78975765
2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-2-phenylacetamide
CID 56811334

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-4-methylpentanoic acid (CID 119364207) is (2R)-2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-4-methylpentanoic acid is CC(C)C[C@@H](NC(=O)COc1ccc(F)c(Cl)c1)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-4-methylpentanoic acid?
The InChIKey is WPZPJHWVPWARKA-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17ClFNO4/c1-8(2)5-12(14(19)20)17-13(18)7-21-9-3-4-11(16)10(15)6-9/h3-4,6,8,12H,5,7H2,1-2H3,(H,17,18)(H,19,20)/t12-/m1/s1.
What are the key properties of (2R)-2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-4-methylpentanoic acid?
(2R)-2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-4-methylpentanoic acid has a molecular weight of 317.74 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 119364207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).