2-[[2-(4-fluorophenyl)cyclopropanecarbonyl]-propylamino]acetic acid

C15H18FNO3 — CID 119205251

IUPAC2-[[2-(4-fluorophenyl)cyclopropanecarbonyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)C1CC1c1ccc(F)cc1
InChIInChI=1S/C15H18FNO3/c1-2-7-17(9-14(18)19)15(20)13-8-12(13)10-3-5-11(16)6-4-10/h3-6,12-13H,2,7-9H2,1H3,(H,18,19)
InChIKeyYNLLBWNHTZVCIH-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.25
Rot. Bonds6

About 2-[[2-(4-fluorophenyl)cyclopropanecarbonyl]-propylamino]acetic acid

2-[[2-(4-fluorophenyl)cyclopropanecarbonyl]-propylamino]acetic acid (PubChem CID 119205251) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is 2-[[2-(4-fluorophenyl)cyclopropanecarbonyl]-propylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(4-fluorophenyl)cyclopropanecarbonyl]-propylamino]acetic acid
PubChem CID119205251
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Name2-[[2-(4-fluorophenyl)cyclopropanecarbonyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)C1CC1c1ccc(F)cc1
InChIInChI=1S/C15H18FNO3/c1-2-7-17(9-14(18)19)15(20)13-8-12(13)10-3-5-11(16)6-4-10/h3-6,12-13H,2,7-9H2,1H3,(H,18,19)
InChIKeyYNLLBWNHTZVCIH-UHFFFAOYSA-N
XLogP2.25
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[ethyl-[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119191361
2-[butan-2-yl-[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]acetic acid
CID 119955287
2-[cyclopropyl-[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119202970
2-(4-fluorophenyl)-N-(3-hydroxybutyl)-N-methylcyclopropane-1-carboxamide
CID 111695531
2-[[(1R,2R)-2-(2,6-difluorophenyl)cyclopropanecarbonyl]-[2-(dimethylamino)ethyl]amino]acetic acid
CID 124685331
2-[ethyl-[2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]acetic acid
CID 119206122
2-[[2-(2,5-difluorophenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid
CID 119193256
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 51292045
2-(4-fluorophenyl)cyclopropane-1-carbonyl chloride
CID 45081780
2-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclopropane-1-carboxamide
CID 71864033
trans-(1S,2S)-2-(4-fluorophenyl)-N-methyl-N-[(4-phenylphenyl)methyl]cyclopropane-1-carboxamide
CID 97061376
2-phenyl-N-piperidin-4-yl-N-propylcyclopropane-1-carboxamide
CID 81494194

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-fluorophenyl)cyclopropanecarbonyl]-propylamino]acetic acid?
The IUPAC name of 2-[[2-(4-fluorophenyl)cyclopropanecarbonyl]-propylamino]acetic acid (CID 119205251) is 2-[[2-(4-fluorophenyl)cyclopropanecarbonyl]-propylamino]acetic acid.
What is the SMILES notation for 2-[[2-(4-fluorophenyl)cyclopropanecarbonyl]-propylamino]acetic acid?
The canonical SMILES for 2-[[2-(4-fluorophenyl)cyclopropanecarbonyl]-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)C1CC1c1ccc(F)cc1.
What is the InChIKey of 2-[[2-(4-fluorophenyl)cyclopropanecarbonyl]-propylamino]acetic acid?
The InChIKey is YNLLBWNHTZVCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c1-2-7-17(9-14(18)19)15(20)13-8-12(13)10-3-5-11(16)6-4-10/h3-6,12-13H,2,7-9H2,1H3,(H,18,19).
What are the key properties of 2-[[2-(4-fluorophenyl)cyclopropanecarbonyl]-propylamino]acetic acid?
2-[[2-(4-fluorophenyl)cyclopropanecarbonyl]-propylamino]acetic acid has a molecular weight of 279.31 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluorophenyl)cyclopropanecarbonyl]-propylamino]acetic acid is sourced from PubChem (CID 119205251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).