5-[[2-(2,3-difluorophenyl)acetyl]amino]hexanoic acid

C14H17F2NO3 — CID 82855066

IUPAC5-[[2-(2,3-difluorophenyl)acetyl]amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)Cc1cccc(F)c1F
InChIInChI=1S/C14H17F2NO3/c1-9(4-2-7-13(19)20)17-12(18)8-10-5-3-6-11(15)14(10)16/h3,5-6,9H,2,4,7-8H2,1H3,(H,17,18)(H,19,20)
InChIKeyATZVQWVPSZBCTA-UHFFFAOYSA-N
MW285.29 g/mol
LogP2.27
Rot. Bonds7

About 5-[[2-(2,3-difluorophenyl)acetyl]amino]hexanoic acid

5-[[2-(2,3-difluorophenyl)acetyl]amino]hexanoic acid (PubChem CID 82855066) has the molecular formula C14H17F2NO3 and a molecular weight of 285.29 g/mol. Its IUPAC name is 5-[[2-(2,3-difluorophenyl)acetyl]amino]hexanoic acid.

Molecular Properties

Compound Name5-[[2-(2,3-difluorophenyl)acetyl]amino]hexanoic acid
PubChem CID82855066
Molecular FormulaC14H17F2NO3
Molecular Weight285.29 g/mol
Exact Mass285.12
IUPAC Name5-[[2-(2,3-difluorophenyl)acetyl]amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)Cc1cccc(F)c1F
InChIInChI=1S/C14H17F2NO3/c1-9(4-2-7-13(19)20)17-12(18)8-10-5-3-6-11(15)14(10)16/h3,5-6,9H,2,4,7-8H2,1H3,(H,17,18)(H,19,20)
InChIKeyATZVQWVPSZBCTA-UHFFFAOYSA-N
XLogP2.27
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[2-[2-(aminomethyl)phenyl]acetyl]amino]hexanoic acid
CID 82845827
5-[(2,6-difluorobenzoyl)amino]hexanoic acid
CID 82854153
5-[[2-(4-chlorophenyl)acetyl]amino]hexanoic acid
CID 82855203
(2R)-2-[[2-(2,3-difluorophenyl)acetyl]amino]pentanoic acid
CID 107563589
2-(2,3-difluorophenyl)-N-[(2R,3R)-4-hydroxy-3-methylbutan-2-yl]acetamide
CID 97245023
N-(5-bromopentan-2-yl)-2-(2-fluorophenyl)acetamide
CID 114316527
5-[(2-fluorobenzoyl)amino]hexanoic acid
CID 82855274
5-[[2-(3-bromophenyl)acetyl]amino]hexanoic acid
CID 82854620
5-[[2-(3-chlorophenyl)acetyl]amino]hexanoic acid
CID 82854339
4-(2,3-difluorophenyl)butanoic acid
CID 59862325
6-[(2,3-difluorophenyl)methylamino]-4-methylhexanoic acid
CID 65289896
5-[[2-(4-aminophenyl)acetyl]amino]hexanoic acid
CID 82846901

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2,3-difluorophenyl)acetyl]amino]hexanoic acid?
The IUPAC name of 5-[[2-(2,3-difluorophenyl)acetyl]amino]hexanoic acid (CID 82855066) is 5-[[2-(2,3-difluorophenyl)acetyl]amino]hexanoic acid.
What is the SMILES notation for 5-[[2-(2,3-difluorophenyl)acetyl]amino]hexanoic acid?
The canonical SMILES for 5-[[2-(2,3-difluorophenyl)acetyl]amino]hexanoic acid is CC(CCCC(=O)O)NC(=O)Cc1cccc(F)c1F.
What is the InChIKey of 5-[[2-(2,3-difluorophenyl)acetyl]amino]hexanoic acid?
The InChIKey is ATZVQWVPSZBCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO3/c1-9(4-2-7-13(19)20)17-12(18)8-10-5-3-6-11(15)14(10)16/h3,5-6,9H,2,4,7-8H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-[[2-(2,3-difluorophenyl)acetyl]amino]hexanoic acid?
5-[[2-(2,3-difluorophenyl)acetyl]amino]hexanoic acid has a molecular weight of 285.29 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2,3-difluorophenyl)acetyl]amino]hexanoic acid is sourced from PubChem (CID 82855066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).