2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-4-methylpentanoic acid

C15H20FNO2 — CID 116530988

IUPAC2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-4-methylpentanoic acid
SMILESCC(C)CC(NC1CCc2cc(F)ccc21)C(=O)O
InChIInChI=1S/C15H20FNO2/c1-9(2)7-14(15(18)19)17-13-6-3-10-8-11(16)4-5-12(10)13/h4-5,8-9,13-14,17H,3,6-7H2,1-2H3,(H,18,19)
InChIKeyMIJFDRXRFPBFQQ-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.90
Rot. Bonds5

About 2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-4-methylpentanoic acid

2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-4-methylpentanoic acid (PubChem CID 116530988) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-4-methylpentanoic acid
PubChem CID116530988
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-4-methylpentanoic acid
SMILESCC(C)CC(NC1CCc2cc(F)ccc21)C(=O)O
InChIInChI=1S/C15H20FNO2/c1-9(2)7-14(15(18)19)17-13-6-3-10-8-11(16)4-5-12(10)13/h4-5,8-9,13-14,17H,3,6-7H2,1-2H3,(H,18,19)
InChIKeyMIJFDRXRFPBFQQ-UHFFFAOYSA-N
XLogP2.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methyl-3-oxopropanoic acid
CID 122065402
5-fluoro-N-(1-methylsulfonylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 115889805
(2S)-2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 104980476
3-amino-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)butanamide
CID 119745353
5-fluoro-N-pent-4-en-2-yl-2,3-dihydro-1H-inden-1-amine
CID 115890485
(2R)-2-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-2-phenylacetamide
CID 95582106
5-fluoro-N-(1-phenylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 115623709
5-fluoro-N-[1-(oxan-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 103779432
N-(4-ethylsulfanylbutan-2-yl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 115725424
N-ethyl-3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanamide
CID 116531134
N-[(1R)-1-(2-chlorophenyl)ethyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 104889840
N-[2-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]propanamide
CID 94212219

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-4-methylpentanoic acid?
The IUPAC name of 2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-4-methylpentanoic acid (CID 116530988) is 2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-4-methylpentanoic acid is CC(C)CC(NC1CCc2cc(F)ccc21)C(=O)O.
What is the InChIKey of 2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-4-methylpentanoic acid?
The InChIKey is MIJFDRXRFPBFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-9(2)7-14(15(18)19)17-13-6-3-10-8-11(16)4-5-12(10)13/h4-5,8-9,13-14,17H,3,6-7H2,1-2H3,(H,18,19).
What are the key properties of 2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-4-methylpentanoic acid?
2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-4-methylpentanoic acid has a molecular weight of 265.33 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 116530988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).