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

C14H18FNO2 — CID 83069027

IUPAC2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pentanoic acid
SMILESCCCC(NC1CCc2c(F)cccc21)C(=O)O
InChIInChI=1S/C14H18FNO2/c1-2-4-13(14(17)18)16-12-8-7-9-10(12)5-3-6-11(9)15/h3,5-6,12-13,16H,2,4,7-8H2,1H3,(H,17,18)
InChIKeyZHRNJTHNRIEBCG-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.66
Rot. Bonds5

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

2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pentanoic acid (PubChem CID 83069027) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pentanoic acid
PubChem CID83069027
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pentanoic acid
SMILESCCCC(NC1CCc2c(F)cccc21)C(=O)O
InChIInChI=1S/C14H18FNO2/c1-2-4-13(14(17)18)16-12-8-7-9-10(12)5-3-6-11(9)15/h3,5-6,12-13,16H,2,4,7-8H2,1H3,(H,17,18)
InChIKeyZHRNJTHNRIEBCG-UHFFFAOYSA-N
XLogP2.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanoic acid
CID 65054889
(2R)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
CID 114987002
N-ethyl-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylpropanamide
CID 103107186
2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylpropanamide
CID 81327848
4-fluoro-N-(3-methylpentan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 79492992
(2R)-2-ethoxy-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]propanamide
CID 96538056
2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpentanoic acid
CID 83068949
4-fluoro-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 61383392
4-fluoro-N-(4-methylsulfinylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 113348816
1-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pentan-3-ol
CID 113262785
(2S)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylethanol
CID 103784055
4-fluoro-N-hex-5-yn-3-yl-2,3-dihydro-1H-inden-1-amine
CID 115672929

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pentanoic acid?
The IUPAC name of 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pentanoic acid (CID 83069027) is 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pentanoic acid.
What is the SMILES notation for 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pentanoic acid?
The canonical SMILES for 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pentanoic acid is CCCC(NC1CCc2c(F)cccc21)C(=O)O.
What is the InChIKey of 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pentanoic acid?
The InChIKey is ZHRNJTHNRIEBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-2-4-13(14(17)18)16-12-8-7-9-10(12)5-3-6-11(9)15/h3,5-6,12-13,16H,2,4,7-8H2,1H3,(H,17,18).
What are the key properties of 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pentanoic acid?
2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pentanoic acid has a molecular weight of 251.30 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pentanoic acid is sourced from PubChem (CID 83069027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).