3-[ethyl-[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]propanoic acid

C15H18FNO3 — CID 119191361

IUPAC3-[ethyl-[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)C1CC1c1ccc(F)cc1
InChIInChI=1S/C15H18FNO3/c1-2-17(8-7-14(18)19)15(20)13-9-12(13)10-3-5-11(16)6-4-10/h3-6,12-13H,2,7-9H2,1H3,(H,18,19)
InChIKeyXXMMRINFVWEMTC-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.25
Rot. Bonds6

About 3-[ethyl-[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]propanoic acid

3-[ethyl-[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]propanoic acid (PubChem CID 119191361) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is 3-[ethyl-[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
PubChem CID119191361
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Name3-[ethyl-[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)C1CC1c1ccc(F)cc1
InChIInChI=1S/C15H18FNO3/c1-2-17(8-7-14(18)19)15(20)13-9-12(13)10-3-5-11(16)6-4-10/h3-6,12-13H,2,7-9H2,1H3,(H,18,19)
InChIKeyXXMMRINFVWEMTC-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

2-[[2-(4-fluorophenyl)cyclopropanecarbonyl]-propylamino]acetic acid
CID 119205251
methyl 3-[ethyl-(2-phenylcyclopropanecarbonyl)amino]propanoate
CID 78971411
2-[butan-2-yl-[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]acetic acid
CID 119955287
3-[[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-ethylamino]propanoic acid
CID 124684391
3-[ethyl-(3-methylcyclobutanecarbonyl)amino]propanoic acid
CID 115909737
3-[ethyl-(4-fluorobenzoyl)amino]propanoic acid
CID 61006685
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 51292045
methyl 2-[ethyl-(2-phenylcyclopropanecarbonyl)amino]acetate
CID 78971313
2-[cyclopropyl-[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119202970
2-(4-fluorophenyl)-N-(3-hydroxybutyl)-N-methylcyclopropane-1-carboxamide
CID 111695531
3-[ethyl-(2-methylcyclopentanecarbonyl)amino]propanoic acid
CID 107175280
2-(4-fluorophenyl)cyclopropane-1-carbonyl chloride
CID 45081780

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]propanoic acid?
The IUPAC name of 3-[ethyl-[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]propanoic acid (CID 119191361) is 3-[ethyl-[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]propanoic acid?
The canonical SMILES for 3-[ethyl-[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]propanoic acid is CCN(CCC(=O)O)C(=O)C1CC1c1ccc(F)cc1.
What is the InChIKey of 3-[ethyl-[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]propanoic acid?
The InChIKey is XXMMRINFVWEMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c1-2-17(8-7-14(18)19)15(20)13-9-12(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 3-[ethyl-[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]propanoic acid?
3-[ethyl-[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]propanoic 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 3-[ethyl-[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]propanoic acid is sourced from PubChem (CID 119191361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).