(2R)-2-[[2-(2,4-difluorophenoxy)acetyl]amino]-4-methylpentanoic acid

C14H17F2NO4 — CID 78975765

IUPAC(2R)-2-[[2-(2,4-difluorophenoxy)acetyl]amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)COc1ccc(F)cc1F)C(=O)O
InChIInChI=1S/C14H17F2NO4/c1-8(2)5-11(14(19)20)17-13(18)7-21-12-4-3-9(15)6-10(12)16/h3-4,6,8,11H,5,7H2,1-2H3,(H,17,18)(H,19,20)/t11-/m1/s1
InChIKeyGLYJHYRDDHQDND-LLVKDONJSA-N
MW301.29 g/mol
LogP1.96
Rot. Bonds7

About (2R)-2-[[2-(2,4-difluorophenoxy)acetyl]amino]-4-methylpentanoic acid

(2R)-2-[[2-(2,4-difluorophenoxy)acetyl]amino]-4-methylpentanoic acid (PubChem CID 78975765) has the molecular formula C14H17F2NO4 and a molecular weight of 301.29 g/mol. Its IUPAC name is (2R)-2-[[2-(2,4-difluorophenoxy)acetyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(2,4-difluorophenoxy)acetyl]amino]-4-methylpentanoic acid
PubChem CID78975765
Molecular FormulaC14H17F2NO4
Molecular Weight301.29 g/mol
Exact Mass301.11
IUPAC Name(2R)-2-[[2-(2,4-difluorophenoxy)acetyl]amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)COc1ccc(F)cc1F)C(=O)O
InChIInChI=1S/C14H17F2NO4/c1-8(2)5-11(14(19)20)17-13(18)7-21-12-4-3-9(15)6-10(12)16/h3-4,6,8,11H,5,7H2,1-2H3,(H,17,18)(H,19,20)/t11-/m1/s1
InChIKeyGLYJHYRDDHQDND-LLVKDONJSA-N
XLogP1.96
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-4-methylpentanoic acid
CID 61137914
(2R)-2-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-hydroxypropanoic acid
CID 80749171
2-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-methoxypropanoic acid
CID 81077351
(2S)-2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]-4-methylpentanoic acid
CID 61155164
N-[(2S)-1-aminopropan-2-yl]-2-(2,4-difluorophenoxy)acetamide;hydrochloride
CID 120507855
methyl 2-[[2-(2-fluorophenoxy)acetyl]amino]-4-methylpentanoate
CID 43404277
5-[[2-(2,4-difluorophenoxy)acetyl]amino]-2-methylpentanoic acid
CID 104682587
(2R)-2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-4-methylpentanoic acid
CID 119364207
(2R)-3-(2,4-difluorophenoxy)-2-methylpropanoic acid
CID 59456425
2-(2,4-difluorophenoxy)-N'-methylacetohydrazide
CID 116820700
2-(2,4-difluorophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 31849974
(2S)-3-[[2-(2,4-difluorophenoxy)acetyl]amino]-2-hydroxypropanoic acid
CID 107833775

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(2,4-difluorophenoxy)acetyl]amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[[2-(2,4-difluorophenoxy)acetyl]amino]-4-methylpentanoic acid (CID 78975765) is (2R)-2-[[2-(2,4-difluorophenoxy)acetyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[[2-(2,4-difluorophenoxy)acetyl]amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[[2-(2,4-difluorophenoxy)acetyl]amino]-4-methylpentanoic acid is CC(C)C[C@@H](NC(=O)COc1ccc(F)cc1F)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(2,4-difluorophenoxy)acetyl]amino]-4-methylpentanoic acid?
The InChIKey is GLYJHYRDDHQDND-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17F2NO4/c1-8(2)5-11(14(19)20)17-13(18)7-21-12-4-3-9(15)6-10(12)16/h3-4,6,8,11H,5,7H2,1-2H3,(H,17,18)(H,19,20)/t11-/m1/s1.
What are the key properties of (2R)-2-[[2-(2,4-difluorophenoxy)acetyl]amino]-4-methylpentanoic acid?
(2R)-2-[[2-(2,4-difluorophenoxy)acetyl]amino]-4-methylpentanoic acid has a molecular weight of 301.29 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(2,4-difluorophenoxy)acetyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 78975765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).