3-[ethyl-[3-(3-fluorophenyl)butanoyl]amino]propanoic acid

C15H20FNO3 — CID 119190914

IUPAC3-[ethyl-[3-(3-fluorophenyl)butanoyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)CC(C)c1cccc(F)c1
InChIInChI=1S/C15H20FNO3/c1-3-17(8-7-15(19)20)14(18)9-11(2)12-5-4-6-13(16)10-12/h4-6,10-11H,3,7-9H2,1-2H3,(H,19,20)
InChIKeyWJCFBMNZZNXDMG-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.64
Rot. Bonds7

About 3-[ethyl-[3-(3-fluorophenyl)butanoyl]amino]propanoic acid

3-[ethyl-[3-(3-fluorophenyl)butanoyl]amino]propanoic acid (PubChem CID 119190914) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 3-[ethyl-[3-(3-fluorophenyl)butanoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-[3-(3-fluorophenyl)butanoyl]amino]propanoic acid
PubChem CID119190914
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name3-[ethyl-[3-(3-fluorophenyl)butanoyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)CC(C)c1cccc(F)c1
InChIInChI=1S/C15H20FNO3/c1-3-17(8-7-15(19)20)14(18)9-11(2)12-5-4-6-13(16)10-12/h4-6,10-11H,3,7-9H2,1-2H3,(H,19,20)
InChIKeyWJCFBMNZZNXDMG-UHFFFAOYSA-N
XLogP2.64
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(3-fluorophenyl)butanoic acid
CID 28791547
4-[3-(3-fluorophenyl)butanoylamino]-4-phenylbutanoic acid
CID 119200963
2-[3-(3-fluorophenyl)butanoylamino]butanoic acid
CID 119223317
3-cyano-N,N-diethyl-3-(3-fluorophenyl)propanamide
CID 82139134
4-[3-(3-fluorophenyl)butanoylamino]-5-phenylpentanoic acid
CID 120547220
4-[[(1R)-1-(3-fluorophenyl)ethyl]amino]butanoic acid
CID 81365721
3-[[3-(3-fluorophenyl)-2-methylpropanoyl]-(2-methylpropyl)amino]propanoic acid
CID 119190319
3-[[2-amino-1-(3-fluorophenyl)-2-sulfanylideneethyl]-ethylamino]propanoic acid
CID 84750093
3-[ethyl-[2-(2-fluorophenyl)sulfanylacetyl]amino]propanoic acid
CID 61007624
N-ethyl-2-(3-fluorophenyl)-N-(2-hydroxyethyl)propanamide
CID 109468131
N-[2-(ethylamino)ethyl]-3-(3-fluorophenyl)butanamide;hydrochloride
CID 119506390
3-[(3-fluorobenzoyl)-(2-methylpropyl)amino]propanoic acid
CID 82324807

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[3-(3-fluorophenyl)butanoyl]amino]propanoic acid?
The IUPAC name of 3-[ethyl-[3-(3-fluorophenyl)butanoyl]amino]propanoic acid (CID 119190914) is 3-[ethyl-[3-(3-fluorophenyl)butanoyl]amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-[3-(3-fluorophenyl)butanoyl]amino]propanoic acid?
The canonical SMILES for 3-[ethyl-[3-(3-fluorophenyl)butanoyl]amino]propanoic acid is CCN(CCC(=O)O)C(=O)CC(C)c1cccc(F)c1.
What is the InChIKey of 3-[ethyl-[3-(3-fluorophenyl)butanoyl]amino]propanoic acid?
The InChIKey is WJCFBMNZZNXDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-3-17(8-7-15(19)20)14(18)9-11(2)12-5-4-6-13(16)10-12/h4-6,10-11H,3,7-9H2,1-2H3,(H,19,20).
What are the key properties of 3-[ethyl-[3-(3-fluorophenyl)butanoyl]amino]propanoic acid?
3-[ethyl-[3-(3-fluorophenyl)butanoyl]amino]propanoic acid has a molecular weight of 281.33 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[3-(3-fluorophenyl)butanoyl]amino]propanoic acid is sourced from PubChem (CID 119190914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).