2-[acetyl(propyl)amino]-2-(2,3-difluorophenyl)acetic acid

C13H15F2NO3 — CID 63704797

IUPAC2-[acetyl(propyl)amino]-2-(2,3-difluorophenyl)acetic acid
SMILESCCCN(C(C)=O)C(C(=O)O)c1cccc(F)c1F
InChIInChI=1S/C13H15F2NO3/c1-3-7-16(8(2)17)12(13(18)19)9-5-4-6-10(14)11(9)15/h4-6,12H,3,7H2,1-2H3,(H,18,19)
InChIKeyJODBTRAUGBNGTL-UHFFFAOYSA-N
MW271.26 g/mol
LogP2.35
Rot. Bonds5

About 2-[acetyl(propyl)amino]-2-(2,3-difluorophenyl)acetic acid

2-[acetyl(propyl)amino]-2-(2,3-difluorophenyl)acetic acid (PubChem CID 63704797) has the molecular formula C13H15F2NO3 and a molecular weight of 271.26 g/mol. Its IUPAC name is 2-[acetyl(propyl)amino]-2-(2,3-difluorophenyl)acetic acid.

Molecular Properties

Compound Name2-[acetyl(propyl)amino]-2-(2,3-difluorophenyl)acetic acid
PubChem CID63704797
Molecular FormulaC13H15F2NO3
Molecular Weight271.26 g/mol
Exact Mass271.10
IUPAC Name2-[acetyl(propyl)amino]-2-(2,3-difluorophenyl)acetic acid
SMILESCCCN(C(C)=O)C(C(=O)O)c1cccc(F)c1F
InChIInChI=1S/C13H15F2NO3/c1-3-7-16(8(2)17)12(13(18)19)9-5-4-6-10(14)11(9)15/h4-6,12H,3,7H2,1-2H3,(H,18,19)
InChIKeyJODBTRAUGBNGTL-UHFFFAOYSA-N
XLogP2.35
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl(methyl)amino]-2-(2,3-difluorophenyl)acetic acid
CID 63701401
(2S)-2-(2,3-difluorophenyl)-2-(dimethylamino)acetic acid
CID 174754003
2-[acetyl(propyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid
CID 63703746
2-[acetyl(ethyl)amino]-2-(2,6-difluorophenyl)acetic acid
CID 63701942
2-[1-(2,3-difluorophenyl)ethyl-propylamino]acetic acid
CID 114059584
2-[acetyl(methyl)amino]-2-(3-chloro-2-fluorophenyl)acetic acid
CID 114488209
2-[acetyl(ethyl)amino]-2-(2,5-difluorophenyl)acetic acid
CID 63701423
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetic acid
CID 26722551
diethyl 2-(2,3-difluorophenyl)propanedioate
CID 63990453
2-[acetyl(ethyl)amino]-2-(2-chlorophenyl)acetic acid
CID 63702725
2,3-difluoro-N-methyl-N-propylbenzamide
CID 62649186
2-[acetyl(propyl)amino]-2-(4-hydroxy-3,5-dimethylphenyl)acetic acid
CID 63704011

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(propyl)amino]-2-(2,3-difluorophenyl)acetic acid?
The IUPAC name of 2-[acetyl(propyl)amino]-2-(2,3-difluorophenyl)acetic acid (CID 63704797) is 2-[acetyl(propyl)amino]-2-(2,3-difluorophenyl)acetic acid.
What is the SMILES notation for 2-[acetyl(propyl)amino]-2-(2,3-difluorophenyl)acetic acid?
The canonical SMILES for 2-[acetyl(propyl)amino]-2-(2,3-difluorophenyl)acetic acid is CCCN(C(C)=O)C(C(=O)O)c1cccc(F)c1F.
What is the InChIKey of 2-[acetyl(propyl)amino]-2-(2,3-difluorophenyl)acetic acid?
The InChIKey is JODBTRAUGBNGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO3/c1-3-7-16(8(2)17)12(13(18)19)9-5-4-6-10(14)11(9)15/h4-6,12H,3,7H2,1-2H3,(H,18,19).
What are the key properties of 2-[acetyl(propyl)amino]-2-(2,3-difluorophenyl)acetic acid?
2-[acetyl(propyl)amino]-2-(2,3-difluorophenyl)acetic acid has a molecular weight of 271.26 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(propyl)amino]-2-(2,3-difluorophenyl)acetic acid is sourced from PubChem (CID 63704797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).