(2R)-2-[[2-(2,3-difluorophenyl)acetyl]amino]pentanoic acid

C13H15F2NO3 — CID 107563589

IUPAC(2R)-2-[[2-(2,3-difluorophenyl)acetyl]amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)Cc1cccc(F)c1F)C(=O)O
InChIInChI=1S/C13H15F2NO3/c1-2-4-10(13(18)19)16-11(17)7-8-5-3-6-9(14)12(8)15/h3,5-6,10H,2,4,7H2,1H3,(H,16,17)(H,18,19)/t10-/m1/s1
InChIKeyATDGUQGSUKZLLW-SNVBAGLBSA-N
MW271.26 g/mol
LogP1.88
Rot. Bonds6

About (2R)-2-[[2-(2,3-difluorophenyl)acetyl]amino]pentanoic acid

(2R)-2-[[2-(2,3-difluorophenyl)acetyl]amino]pentanoic acid (PubChem CID 107563589) has the molecular formula C13H15F2NO3 and a molecular weight of 271.26 g/mol. Its IUPAC name is (2R)-2-[[2-(2,3-difluorophenyl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(2,3-difluorophenyl)acetyl]amino]pentanoic acid
PubChem CID107563589
Molecular FormulaC13H15F2NO3
Molecular Weight271.26 g/mol
Exact Mass271.10
IUPAC Name(2R)-2-[[2-(2,3-difluorophenyl)acetyl]amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)Cc1cccc(F)c1F)C(=O)O
InChIInChI=1S/C13H15F2NO3/c1-2-4-10(13(18)19)16-11(17)7-8-5-3-6-9(14)12(8)15/h3,5-6,10H,2,4,7H2,1H3,(H,16,17)(H,18,19)/t10-/m1/s1
InChIKeyATDGUQGSUKZLLW-SNVBAGLBSA-N
XLogP1.88
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[[2-(2,6-difluorophenyl)acetyl]amino]pentanoic acid
CID 107562809
2-[[2-(2,3-difluorophenyl)acetyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 120533646
2-[[2-(2-hydroxyphenyl)acetyl]amino]pentanoic acid
CID 80740485
2-[[2-(2,3-difluorophenyl)acetyl]amino]-3-sulfopropanoic acid
CID 89123761
2-[2-(2,3-difluorophenyl)ethylamino]pentanoic acid
CID 69141762
2-[[2-(2-fluorophenyl)acetyl]amino]-4-methylsulfonylbutanoic acid
CID 43101856
2-[[2-(2-fluorophenyl)acetyl]amino]-4-hydroxybutanoic acid
CID 61244543
5-[[2-(2,3-difluorophenyl)acetyl]amino]hexanoic acid
CID 82855066
2-[[2-(2-fluorophenyl)acetyl]amino]-4-methylsulfanylbutanoic acid
CID 16785909
2-[[2-(2,4-dichlorophenyl)acetyl]amino]pentanoic acid
CID 43630804
(2R)-2-[[2-(2,6-difluorophenyl)acetyl]amino]-4-hydroxybutanoic acid
CID 107822798
(2R)-2-[[2-(3-fluorophenoxy)acetyl]amino]pentanoic acid
CID 107563444

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(2,3-difluorophenyl)acetyl]amino]pentanoic acid?
The IUPAC name of (2R)-2-[[2-(2,3-difluorophenyl)acetyl]amino]pentanoic acid (CID 107563589) is (2R)-2-[[2-(2,3-difluorophenyl)acetyl]amino]pentanoic acid.
What is the SMILES notation for (2R)-2-[[2-(2,3-difluorophenyl)acetyl]amino]pentanoic acid?
The canonical SMILES for (2R)-2-[[2-(2,3-difluorophenyl)acetyl]amino]pentanoic acid is CCC[C@@H](NC(=O)Cc1cccc(F)c1F)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(2,3-difluorophenyl)acetyl]amino]pentanoic acid?
The InChIKey is ATDGUQGSUKZLLW-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H15F2NO3/c1-2-4-10(13(18)19)16-11(17)7-8-5-3-6-9(14)12(8)15/h3,5-6,10H,2,4,7H2,1H3,(H,16,17)(H,18,19)/t10-/m1/s1.
What are the key properties of (2R)-2-[[2-(2,3-difluorophenyl)acetyl]amino]pentanoic acid?
(2R)-2-[[2-(2,3-difluorophenyl)acetyl]amino]pentanoic acid has a molecular weight of 271.26 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(2,3-difluorophenyl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 107563589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).