[(1S,2R)-2-methoxycyclopentyl] 2-(5-methoxy-1H-indol-3-yl)acetate

C17H21NO4 — CID 96523711

IUPAC[(1S,2R)-2-methoxycyclopentyl] 2-(5-methoxy-1H-indol-3-yl)acetate
SMILESCOc1ccc2[nH]cc(CC(=O)O[C@H]3CCC[C@H]3OC)c2c1
InChIInChI=1S/C17H21NO4/c1-20-12-6-7-14-13(9-12)11(10-18-14)8-17(19)22-16-5-3-4-15(16)21-2/h6-7,9-10,15-16,18H,3-5,8H2,1-2H3/t15-,16+/m1/s1
InChIKeyBZYMUBHAENWHCX-CVEARBPZSA-N
MW303.36 g/mol
LogP2.83
Rot. Bonds5

About [(1S,2R)-2-methoxycyclopentyl] 2-(5-methoxy-1H-indol-3-yl)acetate

[(1S,2R)-2-methoxycyclopentyl] 2-(5-methoxy-1H-indol-3-yl)acetate (PubChem CID 96523711) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is [(1S,2R)-2-methoxycyclopentyl] 2-(5-methoxy-1H-indol-3-yl)acetate.

Molecular Properties

Compound Name[(1S,2R)-2-methoxycyclopentyl] 2-(5-methoxy-1H-indol-3-yl)acetate
PubChem CID96523711
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name[(1S,2R)-2-methoxycyclopentyl] 2-(5-methoxy-1H-indol-3-yl)acetate
SMILESCOc1ccc2[nH]cc(CC(=O)O[C@H]3CCC[C@H]3OC)c2c1
InChIInChI=1S/C17H21NO4/c1-20-12-6-7-14-13(9-12)11(10-18-14)8-17(19)22-16-5-3-4-15(16)21-2/h6-7,9-10,15-16,18H,3-5,8H2,1-2H3/t15-,16+/m1/s1
InChIKeyBZYMUBHAENWHCX-CVEARBPZSA-N
XLogP2.83
TPSA60.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methoxycyclopentyl) 2-(4-bromo-1H-indol-3-yl)acetate
CID 71910130
2-(5-methoxy-1H-indol-3-yl)-N-propan-2-ylacetamide
CID 110847876
N-[(4-cyclohexyloxyphenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 60614816
2-(5-methoxy-1H-indol-3-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 86985838
1-[2-(5-methoxy-1H-indol-3-yl)acetyl]piperidine-2-carboxylic acid
CID 119176125
1-(2-ethylpiperidin-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethanone
CID 110855888
N,N-diethyl-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 113209629
(3-chlorophenyl) 2-(5-methoxy-1H-indol-3-yl)acetate
CID 78874182
1-phenylethyl 2-(5-methoxy-1H-indol-3-yl)acetate
CID 78873695
3-(2-cyclohexylethyl)-5-methoxy-1H-indole
CID 106985417
N-[(5-methoxy-1H-indol-3-yl)methyl]acetamide
CID 71554009
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 78873256

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-methoxycyclopentyl] 2-(5-methoxy-1H-indol-3-yl)acetate?
The IUPAC name of [(1S,2R)-2-methoxycyclopentyl] 2-(5-methoxy-1H-indol-3-yl)acetate (CID 96523711) is [(1S,2R)-2-methoxycyclopentyl] 2-(5-methoxy-1H-indol-3-yl)acetate.
What is the SMILES notation for [(1S,2R)-2-methoxycyclopentyl] 2-(5-methoxy-1H-indol-3-yl)acetate?
The canonical SMILES for [(1S,2R)-2-methoxycyclopentyl] 2-(5-methoxy-1H-indol-3-yl)acetate is COc1ccc2[nH]cc(CC(=O)O[C@H]3CCC[C@H]3OC)c2c1.
What is the InChIKey of [(1S,2R)-2-methoxycyclopentyl] 2-(5-methoxy-1H-indol-3-yl)acetate?
The InChIKey is BZYMUBHAENWHCX-CVEARBPZSA-N. The full InChI is InChI=1S/C17H21NO4/c1-20-12-6-7-14-13(9-12)11(10-18-14)8-17(19)22-16-5-3-4-15(16)21-2/h6-7,9-10,15-16,18H,3-5,8H2,1-2H3/t15-,16+/m1/s1.
What are the key properties of [(1S,2R)-2-methoxycyclopentyl] 2-(5-methoxy-1H-indol-3-yl)acetate?
[(1S,2R)-2-methoxycyclopentyl] 2-(5-methoxy-1H-indol-3-yl)acetate has a molecular weight of 303.36 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-methoxycyclopentyl] 2-(5-methoxy-1H-indol-3-yl)acetate is sourced from PubChem (CID 96523711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).