2-cyclopropyl-2-[1-(2,5-difluorophenyl)ethylamino]acetic acid

C13H15F2NO2 — CID 65060465

IUPAC2-cyclopropyl-2-[1-(2,5-difluorophenyl)ethylamino]acetic acid
SMILESCC(NC(C(=O)O)C1CC1)c1cc(F)ccc1F
InChIInChI=1S/C13H15F2NO2/c1-7(10-6-9(14)4-5-11(10)15)16-12(13(17)18)8-2-3-8/h4-8,12,16H,2-3H2,1H3,(H,17,18)
InChIKeyCYJVYYKKZBBFFV-UHFFFAOYSA-N
MW255.26 g/mol
LogP2.48
Rot. Bonds5

About 2-cyclopropyl-2-[1-(2,5-difluorophenyl)ethylamino]acetic acid

2-cyclopropyl-2-[1-(2,5-difluorophenyl)ethylamino]acetic acid (PubChem CID 65060465) has the molecular formula C13H15F2NO2 and a molecular weight of 255.26 g/mol. Its IUPAC name is 2-cyclopropyl-2-[1-(2,5-difluorophenyl)ethylamino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[1-(2,5-difluorophenyl)ethylamino]acetic acid
PubChem CID65060465
Molecular FormulaC13H15F2NO2
Molecular Weight255.26 g/mol
Exact Mass255.11
IUPAC Name2-cyclopropyl-2-[1-(2,5-difluorophenyl)ethylamino]acetic acid
SMILESCC(NC(C(=O)O)C1CC1)c1cc(F)ccc1F
InChIInChI=1S/C13H15F2NO2/c1-7(10-6-9(14)4-5-11(10)15)16-12(13(17)18)8-2-3-8/h4-8,12,16H,2-3H2,1H3,(H,17,18)
InChIKeyCYJVYYKKZBBFFV-UHFFFAOYSA-N
XLogP2.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-2-[1-(2-methylphenyl)ethylamino]acetic acid
CID 65060071
(2S)-2-(2,5-difluorophenyl)propanoic acid
CID 93182242
2-cyclopropyl-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]acetic acid
CID 103258836
1-(2,4-difluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 43674206
2-cyclopropyl-2-[1-(2-fluorophenyl)propylamino]acetic acid
CID 112680220
2-(cyclopropylamino)-N-[1-(2,5-difluorophenyl)ethyl]acetamide
CID 60843573
(2R)-2-[[(1S)-1-(2,5-difluorophenyl)ethyl]amino]propan-1-ol
CID 93082624
2-cyclopropyl-1-(2,5-difluorophenyl)propan-1-ol
CID 83148576
2-(2,5-difluorophenyl)-2-(1-methylpiperidin-4-yl)acetic acid
CID 116825073
2-cyclopropyl-2-[(2,5-difluorophenyl)methylcarbamoylamino]acetic acid
CID 63792258
N-(dicyclopropylmethyl)-1-(2,4-difluorophenyl)ethanamine
CID 43204151
N-[1-(2,5-difluorophenyl)ethyl]-1-(oxolan-2-yl)ethanamine
CID 43208558

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[1-(2,5-difluorophenyl)ethylamino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[1-(2,5-difluorophenyl)ethylamino]acetic acid (CID 65060465) is 2-cyclopropyl-2-[1-(2,5-difluorophenyl)ethylamino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[1-(2,5-difluorophenyl)ethylamino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[1-(2,5-difluorophenyl)ethylamino]acetic acid is CC(NC(C(=O)O)C1CC1)c1cc(F)ccc1F.
What is the InChIKey of 2-cyclopropyl-2-[1-(2,5-difluorophenyl)ethylamino]acetic acid?
The InChIKey is CYJVYYKKZBBFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO2/c1-7(10-6-9(14)4-5-11(10)15)16-12(13(17)18)8-2-3-8/h4-8,12,16H,2-3H2,1H3,(H,17,18).
What are the key properties of 2-cyclopropyl-2-[1-(2,5-difluorophenyl)ethylamino]acetic acid?
2-cyclopropyl-2-[1-(2,5-difluorophenyl)ethylamino]acetic acid has a molecular weight of 255.26 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[1-(2,5-difluorophenyl)ethylamino]acetic acid is sourced from PubChem (CID 65060465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).