2-cyclopropyl-2-[1-(2-fluorophenyl)propylamino]acetic acid

C14H18FNO2 — CID 112680220

IUPAC2-cyclopropyl-2-[1-(2-fluorophenyl)propylamino]acetic acid
SMILESCCC(NC(C(=O)O)C1CC1)c1ccccc1F
InChIInChI=1S/C14H18FNO2/c1-2-12(10-5-3-4-6-11(10)15)16-13(14(17)18)9-7-8-9/h3-6,9,12-13,16H,2,7-8H2,1H3,(H,17,18)
InChIKeyAPKWBRAERUGOEW-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.73
Rot. Bonds6

About 2-cyclopropyl-2-[1-(2-fluorophenyl)propylamino]acetic acid

2-cyclopropyl-2-[1-(2-fluorophenyl)propylamino]acetic acid (PubChem CID 112680220) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-cyclopropyl-2-[1-(2-fluorophenyl)propylamino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[1-(2-fluorophenyl)propylamino]acetic acid
PubChem CID112680220
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name2-cyclopropyl-2-[1-(2-fluorophenyl)propylamino]acetic acid
SMILESCCC(NC(C(=O)O)C1CC1)c1ccccc1F
InChIInChI=1S/C14H18FNO2/c1-2-12(10-5-3-4-6-11(10)15)16-13(14(17)18)9-7-8-9/h3-6,9,12-13,16H,2,7-8H2,1H3,(H,17,18)
InChIKeyAPKWBRAERUGOEW-UHFFFAOYSA-N
XLogP2.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-fluorophenyl)propyl]pentan-3-amine
CID 112631369
4-[[1-(2-fluorophenyl)propylamino]methyl]cyclohexane-1-carboxylic acid
CID 104964080
(2S)-2-[1-(2-fluorophenyl)propylamino]-2-phenylethanol
CID 103948350
2-cyclopropyl-2-[1-(2-methylphenyl)ethylamino]acetic acid
CID 65060071
2-cyclopropyl-2-[1-(2,5-difluorophenyl)ethylamino]acetic acid
CID 65060465
1-cyclopropyl-N-[1-(2-fluorophenyl)ethyl]propan-1-amine
CID 64918420
N-fluoro-1-(2-fluorophenyl)propan-1-amine
CID 175319126
2-[1-(2-fluorophenyl)propylamino]acetamide
CID 112676826
2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]butanoic acid
CID 81380426
2-[(2-fluorophenyl)-(methylamino)methyl]butanoic acid
CID 116959735
1-(2-fluorophenyl)-N-[1-(oxolan-2-yl)ethyl]propan-1-amine
CID 112631436
N-[1-(2-fluorophenyl)propyl]-2-methyloxolan-3-amine
CID 112639555

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[1-(2-fluorophenyl)propylamino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[1-(2-fluorophenyl)propylamino]acetic acid (CID 112680220) is 2-cyclopropyl-2-[1-(2-fluorophenyl)propylamino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[1-(2-fluorophenyl)propylamino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[1-(2-fluorophenyl)propylamino]acetic acid is CCC(NC(C(=O)O)C1CC1)c1ccccc1F.
What is the InChIKey of 2-cyclopropyl-2-[1-(2-fluorophenyl)propylamino]acetic acid?
The InChIKey is APKWBRAERUGOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-2-12(10-5-3-4-6-11(10)15)16-13(14(17)18)9-7-8-9/h3-6,9,12-13,16H,2,7-8H2,1H3,(H,17,18).
What are the key properties of 2-cyclopropyl-2-[1-(2-fluorophenyl)propylamino]acetic acid?
2-cyclopropyl-2-[1-(2-fluorophenyl)propylamino]acetic acid has a molecular weight of 251.30 g/mol, XLogP of 2.73, 6 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-fluorophenyl)propylamino]acetic acid is sourced from PubChem (CID 112680220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).