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

C15H20FNO2 — CID 83068949

IUPAC2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC1CCc2c(F)cccc21)C(=O)O
InChIInChI=1S/C15H20FNO2/c1-3-9-15(2,14(18)19)17-13-8-7-10-11(13)5-4-6-12(10)16/h4-6,13,17H,3,7-9H2,1-2H3,(H,18,19)
InChIKeyPEGLOBGNMQNAMC-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.05
Rot. Bonds5

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

2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpentanoic acid (PubChem CID 83068949) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpentanoic acid
PubChem CID83068949
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC1CCc2c(F)cccc21)C(=O)O
InChIInChI=1S/C15H20FNO2/c1-3-9-15(2,14(18)19)17-13-8-7-10-11(13)5-4-6-12(10)16/h4-6,13,17H,3,7-9H2,1-2H3,(H,18,19)
InChIKeyPEGLOBGNMQNAMC-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 61383392
2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pentanoic acid
CID 83069027
(2R)-2-ethoxy-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]propanamide
CID 96538056
4-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid
CID 83065262
1-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pentan-3-ol
CID 113262785
1-(tert-butylamino)-2,3-dihydro-1H-indene-4-carboxylic acid
CID 105493193
4-fluoro-N-(3-propoxypropyl)-2,3-dihydro-1H-inden-1-amine
CID 83065403
N-(2-butoxyethyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 79484036
2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethyl carbamate
CID 83209258
4-fluoro-N-(5,5,5-trifluoropentyl)-2,3-dihydro-1H-inden-1-amine
CID 115496239
(2R)-2-amino-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)propanamide
CID 119302149
2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975454

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpentanoic acid?
The IUPAC name of 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpentanoic acid (CID 83068949) is 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpentanoic acid?
The canonical SMILES for 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpentanoic acid is CCCC(C)(NC1CCc2c(F)cccc21)C(=O)O.
What is the InChIKey of 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpentanoic acid?
The InChIKey is PEGLOBGNMQNAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-3-9-15(2,14(18)19)17-13-8-7-10-11(13)5-4-6-12(10)16/h4-6,13,17H,3,7-9H2,1-2H3,(H,18,19).
What are the key properties of 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpentanoic acid?
2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpentanoic acid has a molecular weight of 265.33 g/mol, XLogP of 3.05, 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]-2-methylpentanoic acid is sourced from PubChem (CID 83068949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).