methyl 3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoate

C13H16FNO2 — CID 116530837

IUPACmethyl 3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoate
SMILESCOC(=O)CCNC1CCc2cc(F)ccc21
InChIInChI=1S/C13H16FNO2/c1-17-13(16)6-7-15-12-5-2-9-8-10(14)3-4-11(9)12/h3-4,8,12,15H,2,5-7H2,1H3
InChIKeyYUYQSCRZRSQXOM-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.97
Rot. Bonds4

About methyl 3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoate

methyl 3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoate (PubChem CID 116530837) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is methyl 3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoate
PubChem CID116530837
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Namemethyl 3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoate
SMILESCOC(=O)CCNC1CCc2cc(F)ccc21
InChIInChI=1S/C13H16FNO2/c1-17-13(16)6-7-15-12-5-2-9-8-10(14)3-4-11(9)12/h3-4,8,12,15H,2,5-7H2,1H3
InChIKeyYUYQSCRZRSQXOM-UHFFFAOYSA-N
XLogP1.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanamide
CID 116531134
2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethylurea
CID 116531124
5-fluoro-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-inden-1-amine
CID 115706133
5-fluoro-N-octyl-2,3-dihydro-1H-inden-1-amine
CID 116531093
5-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pentan-1-ol
CID 107303158
methyl 3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]propanoate
CID 43637145
5-fluoro-N-(3-propan-2-yloxypropyl)-2,3-dihydro-1H-inden-1-amine
CID 113259796
5-fluoro-N-[2-(2-methylpropoxy)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 115713623
3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanenitrile
CID 115591788
N-[2-(2,2-difluoroethoxy)ethyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 103082723
5-fluoro-N-(4-methoxy-2,2-dimethylbutyl)-2,3-dihydro-1H-inden-1-amine
CID 104628801
methyl 3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]propanoate
CID 103917115

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoate?
The IUPAC name of methyl 3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoate (CID 116530837) is methyl 3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoate.
What is the SMILES notation for methyl 3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoate?
The canonical SMILES for methyl 3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoate is COC(=O)CCNC1CCc2cc(F)ccc21.
What is the InChIKey of methyl 3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoate?
The InChIKey is YUYQSCRZRSQXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-17-13(16)6-7-15-12-5-2-9-8-10(14)3-4-11(9)12/h3-4,8,12,15H,2,5-7H2,1H3.
What are the key properties of methyl 3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoate?
methyl 3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoate has a molecular weight of 237.27 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoate is sourced from PubChem (CID 116530837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).