2-[(2,6-difluorobenzoyl)-propylamino]acetic acid

C12H13F2NO3 — CID 61011405

IUPAC2-[(2,6-difluorobenzoyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1c(F)cccc1F
InChIInChI=1S/C12H13F2NO3/c1-2-6-15(7-10(16)17)12(18)11-8(13)4-3-5-9(11)14/h3-5H,2,6-7H2,1H3,(H,16,17)
InChIKeyQUHZABPSCQYLKB-UHFFFAOYSA-N
MW257.24 g/mol
LogP1.90
Rot. Bonds5

About 2-[(2,6-difluorobenzoyl)-propylamino]acetic acid

2-[(2,6-difluorobenzoyl)-propylamino]acetic acid (PubChem CID 61011405) has the molecular formula C12H13F2NO3 and a molecular weight of 257.24 g/mol. Its IUPAC name is 2-[(2,6-difluorobenzoyl)-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(2,6-difluorobenzoyl)-propylamino]acetic acid
PubChem CID61011405
Molecular FormulaC12H13F2NO3
Molecular Weight257.24 g/mol
Exact Mass257.09
IUPAC Name2-[(2,6-difluorobenzoyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1c(F)cccc1F
InChIInChI=1S/C12H13F2NO3/c1-2-6-15(7-10(16)17)12(18)11-8(13)4-3-5-9(11)14/h3-5H,2,6-7H2,1H3,(H,16,17)
InChIKeyQUHZABPSCQYLKB-UHFFFAOYSA-N
XLogP1.90
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chloro-6-fluorobenzoyl)-propylamino]acetic acid
CID 61011677
2-[(2,6-difluorophenyl)carbamoyl-propylamino]acetic acid
CID 61195377
2-[benzoyl(propyl)amino]acetic acid
CID 61011930
2-[[2-(2-fluorophenyl)acetyl]-propylamino]acetic acid
CID 61011390
N-(2-bromoethyl)-N-butyl-2,6-difluorobenzamide
CID 80658889
2-[propyl(1H-pyrrole-2-carbonyl)amino]acetic acid
CID 61011951
2-[(2-fluoro-4-hydroxybenzoyl)-propylamino]acetic acid
CID 107674770
2-[(4-chloro-3-fluorobenzoyl)-propylamino]acetic acid
CID 106703257
2-[[2-[(3-fluorobenzoyl)amino]acetyl]-propylamino]acetic acid
CID 61011831
2-[(2-methyl-6-nitrobenzoyl)-propylamino]acetic acid
CID 61011658
2-[(2-iodo-3-methylbenzoyl)-propylamino]acetic acid
CID 113263220
2-[(3-chloro-4-fluorobenzoyl)-propylamino]acetic acid
CID 82875631

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-difluorobenzoyl)-propylamino]acetic acid?
The IUPAC name of 2-[(2,6-difluorobenzoyl)-propylamino]acetic acid (CID 61011405) is 2-[(2,6-difluorobenzoyl)-propylamino]acetic acid.
What is the SMILES notation for 2-[(2,6-difluorobenzoyl)-propylamino]acetic acid?
The canonical SMILES for 2-[(2,6-difluorobenzoyl)-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)c1c(F)cccc1F.
What is the InChIKey of 2-[(2,6-difluorobenzoyl)-propylamino]acetic acid?
The InChIKey is QUHZABPSCQYLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO3/c1-2-6-15(7-10(16)17)12(18)11-8(13)4-3-5-9(11)14/h3-5H,2,6-7H2,1H3,(H,16,17).
What are the key properties of 2-[(2,6-difluorobenzoyl)-propylamino]acetic acid?
2-[(2,6-difluorobenzoyl)-propylamino]acetic acid has a molecular weight of 257.24 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluorobenzoyl)-propylamino]acetic acid is sourced from PubChem (CID 61011405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).