3-[cyclopropyl-(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoic acid

C15H18FNO2 — CID 83069274

IUPAC3-[cyclopropyl-(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoic acid
SMILESO=C(O)CCN(C1CC1)C1CCc2c(F)cccc21
InChIInChI=1S/C15H18FNO2/c16-13-3-1-2-12-11(13)6-7-14(12)17(10-4-5-10)9-8-15(18)19/h1-3,10,14H,4-9H2,(H,18,19)
InChIKeyIUBOKXJPCIRLFL-UHFFFAOYSA-N
MW263.31 g/mol
LogP2.75
Rot. Bonds5

About 3-[cyclopropyl-(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoic acid

3-[cyclopropyl-(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoic acid (PubChem CID 83069274) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is 3-[cyclopropyl-(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoic acid
PubChem CID83069274
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name3-[cyclopropyl-(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoic acid
SMILESO=C(O)CCN(C1CC1)C1CCc2c(F)cccc21
InChIInChI=1S/C15H18FNO2/c16-13-3-1-2-12-11(13)6-7-14(12)17(10-4-5-10)9-8-15(18)19/h1-3,10,14H,4-9H2,(H,18,19)
InChIKeyIUBOKXJPCIRLFL-UHFFFAOYSA-N
XLogP2.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoic acid (CID 83069274) is 3-[cyclopropyl-(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoic acid is O=C(O)CCN(C1CC1)C1CCc2c(F)cccc21.
What is the InChIKey of 3-[cyclopropyl-(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoic acid?
The InChIKey is IUBOKXJPCIRLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c16-13-3-1-2-12-11(13)6-7-14(12)17(10-4-5-10)9-8-15(18)19/h1-3,10,14H,4-9H2,(H,18,19).
What are the key properties of 3-[cyclopropyl-(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoic acid?
3-[cyclopropyl-(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoic acid has a molecular weight of 263.31 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoic acid is sourced from PubChem (CID 83069274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).