3-[cyclopropyl-[3-(2-fluoroanilino)-3-oxopropyl]amino]propanoic acid

C15H19FN2O3 — CID 60840730

IUPAC3-[cyclopropyl-[3-(2-fluoroanilino)-3-oxopropyl]amino]propanoic acid
SMILESO=C(O)CCN(CCC(=O)Nc1ccccc1F)C1CC1
InChIInChI=1S/C15H19FN2O3/c16-12-3-1-2-4-13(12)17-14(19)7-9-18(11-5-6-11)10-8-15(20)21/h1-4,11H,5-10H2,(H,17,19)(H,20,21)
InChIKeyBVTGRVUPRCMLRB-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.09
Rot. Bonds8

About 3-[cyclopropyl-[3-(2-fluoroanilino)-3-oxopropyl]amino]propanoic acid

3-[cyclopropyl-[3-(2-fluoroanilino)-3-oxopropyl]amino]propanoic acid (PubChem CID 60840730) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 3-[cyclopropyl-[3-(2-fluoroanilino)-3-oxopropyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[3-(2-fluoroanilino)-3-oxopropyl]amino]propanoic acid
PubChem CID60840730
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name3-[cyclopropyl-[3-(2-fluoroanilino)-3-oxopropyl]amino]propanoic acid
SMILESO=C(O)CCN(CCC(=O)Nc1ccccc1F)C1CC1
InChIInChI=1S/C15H19FN2O3/c16-12-3-1-2-4-13(12)17-14(19)7-9-18(11-5-6-11)10-8-15(20)21/h1-4,11H,5-10H2,(H,17,19)(H,20,21)
InChIKeyBVTGRVUPRCMLRB-UHFFFAOYSA-N
XLogP2.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-fluoroanilino)-4-oxobutanoic acid
CID 573893
N-cyclopropyl-4-[[cyclopropyl-[3-(2-fluoroanilino)-3-oxopropyl]amino]methyl]benzamide
CID 55832005
2-[cyclopropyl(4-hydroxybutyl)amino]-N-(2-fluorophenyl)acetamide
CID 111457011
N-(5-amino-2-fluorophenyl)-3-[benzyl(cyclopropyl)amino]propanamide
CID 113223373
3-[[2-(2-fluoroanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 60987825
N-(2-aminophenyl)-3-[butyl(cyclopropyl)amino]propanamide
CID 61440644
3-[cyclopentyl-[2-(2-fluorophenyl)ethyl]amino]propanoic acid
CID 119135037
3-[ethyl-[1-(1-phenylethyl)pyrrolidin-3-yl]amino]-N-(2-fluorophenyl)propanamide
CID 56526257
3-[cyclopropyl-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]amino]propanoic acid
CID 60838363
N-(2-fluorophenyl)-3-[methyl(piperidin-3-yl)amino]propanamide
CID 63642324
3-cyclopentyl-N-(2-fluorophenyl)propanamide
CID 917347
2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-(2-fluorophenyl)acetamide
CID 62977435

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[3-(2-fluoroanilino)-3-oxopropyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-[3-(2-fluoroanilino)-3-oxopropyl]amino]propanoic acid (CID 60840730) is 3-[cyclopropyl-[3-(2-fluoroanilino)-3-oxopropyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[3-(2-fluoroanilino)-3-oxopropyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-[3-(2-fluoroanilino)-3-oxopropyl]amino]propanoic acid is O=C(O)CCN(CCC(=O)Nc1ccccc1F)C1CC1.
What is the InChIKey of 3-[cyclopropyl-[3-(2-fluoroanilino)-3-oxopropyl]amino]propanoic acid?
The InChIKey is BVTGRVUPRCMLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c16-12-3-1-2-4-13(12)17-14(19)7-9-18(11-5-6-11)10-8-15(20)21/h1-4,11H,5-10H2,(H,17,19)(H,20,21).
What are the key properties of 3-[cyclopropyl-[3-(2-fluoroanilino)-3-oxopropyl]amino]propanoic acid?
3-[cyclopropyl-[3-(2-fluoroanilino)-3-oxopropyl]amino]propanoic acid has a molecular weight of 294.33 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[3-(2-fluoroanilino)-3-oxopropyl]amino]propanoic acid is sourced from PubChem (CID 60840730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).