3-(2,3-dihydro-1H-inden-5-yloxy)-1-(methylamino)cyclopentane-1-carboxylic acid

C16H21NO3 — CID 79649371

IUPAC3-(2,3-dihydro-1H-inden-5-yloxy)-1-(methylamino)cyclopentane-1-carboxylic acid
SMILESCNC1(C(=O)O)CCC(Oc2ccc3c(c2)CCC3)C1
InChIInChI=1S/C16H21NO3/c1-17-16(15(18)19)8-7-14(10-16)20-13-6-5-11-3-2-4-12(11)9-13/h5-6,9,14,17H,2-4,7-8,10H2,1H3,(H,18,19)
InChIKeyFLROPOWFKPYLMH-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.15
Rot. Bonds4

About 3-(2,3-dihydro-1H-inden-5-yloxy)-1-(methylamino)cyclopentane-1-carboxylic acid

3-(2,3-dihydro-1H-inden-5-yloxy)-1-(methylamino)cyclopentane-1-carboxylic acid (PubChem CID 79649371) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-yloxy)-1-(methylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-yloxy)-1-(methylamino)cyclopentane-1-carboxylic acid
PubChem CID79649371
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name3-(2,3-dihydro-1H-inden-5-yloxy)-1-(methylamino)cyclopentane-1-carboxylic acid
SMILESCNC1(C(=O)O)CCC(Oc2ccc3c(c2)CCC3)C1
InChIInChI=1S/C16H21NO3/c1-17-16(15(18)19)8-7-14(10-16)20-13-6-5-11-3-2-4-12(11)9-13/h5-6,9,14,17H,2-4,7-8,10H2,1H3,(H,18,19)
InChIKeyFLROPOWFKPYLMH-UHFFFAOYSA-N
XLogP2.15
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(methylamino)-3-(3-methylsulfonylphenoxy)cyclopentane-1-carboxylic acid
CID 79648143
3-(3-fluoro-4-nitrophenoxy)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79646715
3-(2,3-dihydro-1H-inden-5-yloxy)-1-(methylamino)cyclohexane-1-carbonitrile
CID 79625837
[3-(2,3-dihydro-1H-inden-5-yloxy)-1-(propylamino)cyclopentyl]methanol
CID 79646252
1-(methylamino)-3-(4-methylphenoxy)cyclopentane-1-carboxamide
CID 79648973
3-(3-methylphenoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79648303
3-(3,5-dimethylphenoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79647745
3-(2-ethylphenoxy)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79648693
3-[4-(hydroxymethyl)phenoxy]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79646691
4-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethylpyrrolidine
CID 116821079
3-(3-ethoxyphenoxy)-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79648163
3-[3-(hydroxymethyl)phenoxy]-1-(methylamino)cyclopentane-1-carboxamide
CID 79648806

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-yloxy)-1-(methylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-yloxy)-1-(methylamino)cyclopentane-1-carboxylic acid (CID 79649371) is 3-(2,3-dihydro-1H-inden-5-yloxy)-1-(methylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-yloxy)-1-(methylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-yloxy)-1-(methylamino)cyclopentane-1-carboxylic acid is CNC1(C(=O)O)CCC(Oc2ccc3c(c2)CCC3)C1.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-yloxy)-1-(methylamino)cyclopentane-1-carboxylic acid?
The InChIKey is FLROPOWFKPYLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-17-16(15(18)19)8-7-14(10-16)20-13-6-5-11-3-2-4-12(11)9-13/h5-6,9,14,17H,2-4,7-8,10H2,1H3,(H,18,19).
What are the key properties of 3-(2,3-dihydro-1H-inden-5-yloxy)-1-(methylamino)cyclopentane-1-carboxylic acid?
3-(2,3-dihydro-1H-inden-5-yloxy)-1-(methylamino)cyclopentane-1-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-yloxy)-1-(methylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79649371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).