2-cyclopropyl-2-(ethylamino)-3-(N-ethyl-4-fluoroanilino)propanoic acid

C16H23FN2O2 — CID 63927214

IUPAC2-cyclopropyl-2-(ethylamino)-3-(N-ethyl-4-fluoroanilino)propanoic acid
SMILESCCNC(CN(CC)c1ccc(F)cc1)(C(=O)O)C1CC1
InChIInChI=1S/C16H23FN2O2/c1-3-18-16(15(20)21,12-5-6-12)11-19(4-2)14-9-7-13(17)8-10-14/h7-10,12,18H,3-6,11H2,1-2H3,(H,20,21)
InChIKeyKIRSGLXPPTXTQZ-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.49
Rot. Bonds8

About 2-cyclopropyl-2-(ethylamino)-3-(N-ethyl-4-fluoroanilino)propanoic acid

2-cyclopropyl-2-(ethylamino)-3-(N-ethyl-4-fluoroanilino)propanoic acid (PubChem CID 63927214) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 2-cyclopropyl-2-(ethylamino)-3-(N-ethyl-4-fluoroanilino)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(ethylamino)-3-(N-ethyl-4-fluoroanilino)propanoic acid
PubChem CID63927214
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name2-cyclopropyl-2-(ethylamino)-3-(N-ethyl-4-fluoroanilino)propanoic acid
SMILESCCNC(CN(CC)c1ccc(F)cc1)(C(=O)O)C1CC1
InChIInChI=1S/C16H23FN2O2/c1-3-18-16(15(20)21,12-5-6-12)11-19(4-2)14-9-7-13(17)8-10-14/h7-10,12,18H,3-6,11H2,1-2H3,(H,20,21)
InChIKeyKIRSGLXPPTXTQZ-UHFFFAOYSA-N
XLogP2.49
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-(N-ethyl-4-fluoroanilino)propanoic acid?
The IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-(N-ethyl-4-fluoroanilino)propanoic acid (CID 63927214) is 2-cyclopropyl-2-(ethylamino)-3-(N-ethyl-4-fluoroanilino)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(ethylamino)-3-(N-ethyl-4-fluoroanilino)propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(ethylamino)-3-(N-ethyl-4-fluoroanilino)propanoic acid is CCNC(CN(CC)c1ccc(F)cc1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(ethylamino)-3-(N-ethyl-4-fluoroanilino)propanoic acid?
The InChIKey is KIRSGLXPPTXTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-3-18-16(15(20)21,12-5-6-12)11-19(4-2)14-9-7-13(17)8-10-14/h7-10,12,18H,3-6,11H2,1-2H3,(H,20,21).
What are the key properties of 2-cyclopropyl-2-(ethylamino)-3-(N-ethyl-4-fluoroanilino)propanoic acid?
2-cyclopropyl-2-(ethylamino)-3-(N-ethyl-4-fluoroanilino)propanoic acid has a molecular weight of 294.37 g/mol, XLogP of 2.49, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(ethylamino)-3-(N-ethyl-4-fluoroanilino)propanoic acid is sourced from PubChem (CID 63927214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).