3-[cyclopropyl-[2-(3-fluorophenoxy)propanoyl]amino]propanoic acid

C15H18FNO4 — CID 60845409

IUPAC3-[cyclopropyl-[2-(3-fluorophenoxy)propanoyl]amino]propanoic acid
SMILESCC(Oc1cccc(F)c1)C(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C15H18FNO4/c1-10(21-13-4-2-3-11(16)9-13)15(20)17(12-5-6-12)8-7-14(18)19/h2-4,9-10,12H,5-8H2,1H3,(H,18,19)
InChIKeyRJSVBXYJPIEBBD-UHFFFAOYSA-N
MW295.31 g/mol
LogP2.06
Rot. Bonds7

About 3-[cyclopropyl-[2-(3-fluorophenoxy)propanoyl]amino]propanoic acid

3-[cyclopropyl-[2-(3-fluorophenoxy)propanoyl]amino]propanoic acid (PubChem CID 60845409) has the molecular formula C15H18FNO4 and a molecular weight of 295.31 g/mol. Its IUPAC name is 3-[cyclopropyl-[2-(3-fluorophenoxy)propanoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[2-(3-fluorophenoxy)propanoyl]amino]propanoic acid
PubChem CID60845409
Molecular FormulaC15H18FNO4
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Name3-[cyclopropyl-[2-(3-fluorophenoxy)propanoyl]amino]propanoic acid
SMILESCC(Oc1cccc(F)c1)C(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C15H18FNO4/c1-10(21-13-4-2-3-11(16)9-13)15(20)17(12-5-6-12)8-7-14(18)19/h2-4,9-10,12H,5-8H2,1H3,(H,18,19)
InChIKeyRJSVBXYJPIEBBD-UHFFFAOYSA-N
XLogP2.06
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(3-fluorophenoxy)propanoyl-methylamino]butanoic acid
CID 43360056
3-[(3,4-difluorophenyl)methyl-[2-(3-fluorophenoxy)propanoyl]amino]propanoic acid
CID 119208139
3-[[(2R)-2-(4-chloro-3-methylphenoxy)propanoyl]-(oxan-4-yl)amino]propanoic acid
CID 125150239
N-cyclobutyl-N-(2-hydroxyethyl)-2-phenoxypropanamide
CID 102684586
1-cyclopropyl-3-[2-(3-fluorophenoxy)propyl]-1-(2-hydroxyethyl)urea
CID 111508451
2-[2-(3-fluorophenoxy)propanoyl-methylamino]propanoic acid
CID 62626189
3-[3-(3-fluorophenoxy)propanoyl-methylamino]propanoic acid
CID 60989974
N-(2,6-dimethylcyclohexyl)-2-(3-fluorophenoxy)propanamide
CID 78853035
3-[(3R)-1-[(2S)-2-(3-fluorophenoxy)propanoyl]piperidin-3-yl]propanoic acid
CID 124695893
2-[[(4S)-1-[(2S)-2-(3-fluorophenoxy)propanoyl]azepan-4-yl]-methylamino]acetic acid
CID 129399156
(2S)-2-(3-fluorophenoxy)-N-(2-phenoxyethyl)propanamide
CID 30865784
2-(3-fluorophenoxy)-N-(2,2,2-trifluoroethoxy)propanamide
CID 81339909

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[2-(3-fluorophenoxy)propanoyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-[2-(3-fluorophenoxy)propanoyl]amino]propanoic acid (CID 60845409) is 3-[cyclopropyl-[2-(3-fluorophenoxy)propanoyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[2-(3-fluorophenoxy)propanoyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-[2-(3-fluorophenoxy)propanoyl]amino]propanoic acid is CC(Oc1cccc(F)c1)C(=O)N(CCC(=O)O)C1CC1.
What is the InChIKey of 3-[cyclopropyl-[2-(3-fluorophenoxy)propanoyl]amino]propanoic acid?
The InChIKey is RJSVBXYJPIEBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO4/c1-10(21-13-4-2-3-11(16)9-13)15(20)17(12-5-6-12)8-7-14(18)19/h2-4,9-10,12H,5-8H2,1H3,(H,18,19).
What are the key properties of 3-[cyclopropyl-[2-(3-fluorophenoxy)propanoyl]amino]propanoic acid?
3-[cyclopropyl-[2-(3-fluorophenoxy)propanoyl]amino]propanoic acid has a molecular weight of 295.31 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[2-(3-fluorophenoxy)propanoyl]amino]propanoic acid is sourced from PubChem (CID 60845409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).