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

C14H18FNO2 — CID 116532347

IUPAC4-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)C1CCc2cc(F)ccc21
InChIInChI=1S/C14H18FNO2/c1-16(8-2-3-14(17)18)13-7-4-10-9-11(15)5-6-12(10)13/h5-6,9,13H,2-4,7-8H2,1H3,(H,17,18)
InChIKeyIGCFIGOHCOLEMY-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.61
Rot. Bonds5

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

4-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)-methylamino]butanoic acid (PubChem CID 116532347) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 4-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)-methylamino]butanoic acid
PubChem CID116532347
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name4-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)C1CCc2cc(F)ccc21
InChIInChI=1S/C14H18FNO2/c1-16(8-2-3-14(17)18)13-7-4-10-9-11(15)5-6-12(10)13/h5-6,9,13H,2-4,7-8H2,1H3,(H,17,18)
InChIKeyIGCFIGOHCOLEMY-UHFFFAOYSA-N
XLogP2.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)-methylamino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[cyclopropyl-(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoic acid
CID 116532317
N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-N-methylbenzamide
CID 144743792
2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)-methylamino]acetamide
CID 154740189
3-(6-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)propanoic acid
CID 83985117
6-fluoro-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115057049
4-[(4-fluoro-2-methylphenyl)methyl-methylamino]butanoic acid
CID 65067973
methyl 5-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]pentanoate
CID 100664309
3-(6-fluoro-13-methoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)propanoic acid
CID 83985242
1-[methyl(3,3,3-trifluoropropyl)amino]-2,3-dihydro-1H-inden-5-ol
CID 107685102
4-[3,4-dihydro-1H-isochromen-4-yl(methyl)amino]butanoic acid
CID 107150274
4-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-4-oxobutanoic acid
CID 43578444
1-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)propan-1-one
CID 83985409

Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)-methylamino]butanoic acid?
The IUPAC name of 4-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)-methylamino]butanoic acid (CID 116532347) is 4-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)-methylamino]butanoic acid.
What is the SMILES notation for 4-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)-methylamino]butanoic acid?
The canonical SMILES for 4-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)-methylamino]butanoic acid is CN(CCCC(=O)O)C1CCc2cc(F)ccc21.
What is the InChIKey of 4-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)-methylamino]butanoic acid?
The InChIKey is IGCFIGOHCOLEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-16(8-2-3-14(17)18)13-7-4-10-9-11(15)5-6-12(10)13/h5-6,9,13H,2-4,7-8H2,1H3,(H,17,18).
What are the key properties of 4-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)-methylamino]butanoic acid?
4-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)-methylamino]butanoic acid has a molecular weight of 251.30 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)-methylamino]butanoic acid is sourced from PubChem (CID 116532347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).