methyl 2-cyclopentyl-2-hydroxy-2-(1H-indol-2-yl)acetate

C16H19NO3 — CID 141249860

IUPACmethyl 2-cyclopentyl-2-hydroxy-2-(1H-indol-2-yl)acetate
SMILESCOC(=O)C(O)(c1cc2ccccc2[nH]1)C1CCCC1
InChIInChI=1S/C16H19NO3/c1-20-15(18)16(19,12-7-3-4-8-12)14-10-11-6-2-5-9-13(11)17-14/h2,5-6,9-10,12,17,19H,3-4,7-8H2,1H3
InChIKeyBGCWFBUCHKNBBN-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.72
Rot. Bonds3

About methyl 2-cyclopentyl-2-hydroxy-2-(1H-indol-2-yl)acetate

methyl 2-cyclopentyl-2-hydroxy-2-(1H-indol-2-yl)acetate (PubChem CID 141249860) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is methyl 2-cyclopentyl-2-hydroxy-2-(1H-indol-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-cyclopentyl-2-hydroxy-2-(1H-indol-2-yl)acetate
PubChem CID141249860
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Namemethyl 2-cyclopentyl-2-hydroxy-2-(1H-indol-2-yl)acetate
SMILESCOC(=O)C(O)(c1cc2ccccc2[nH]1)C1CCCC1
InChIInChI=1S/C16H19NO3/c1-20-15(18)16(19,12-7-3-4-8-12)14-10-11-6-2-5-9-13(11)17-14/h2,5-6,9-10,12,17,19H,3-4,7-8H2,1H3
InChIKeyBGCWFBUCHKNBBN-UHFFFAOYSA-N
XLogP2.72
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Pemedolac
CID 6918042
1-Ethyl-1,3,4,9-tetrahydropyrano(3,4-b)indole-1-acetic acid
CID 10988999
3-Methyl-1H-indole-2-carboxylic acid
CID 2752638
Prodolic Acid
CID 37462
1H-Indole-3-butanoic acid, 2-carboxy-
CID 169314
methyl 2-(2-hydroxypropan-2-yl)-3-methyl-1H-indole-5-carboxylate
CID 24792656
methyl 2-(2-hydroxybutan-2-yl)-3-methyl-1H-indole-5-carboxylate
CID 24792657
methyl 3-ethyl-2-(1-hydroxycyclohexyl)-1H-indole-6-carboxylate
CID 24792663
methyl 2-(2-hydroxypropan-2-yl)-3-methyl-1H-indole-6-carboxylate
CID 24794047
methyl 2-(1-hydroxycyclohexyl)-3-methyl-1H-indole-5-carboxylate
CID 25058294
2-[(4R)-1-ethyl-4-prop-2-enyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid
CID 44310762
Methyl alpha-hydroxy-2-methyl-alpha-(trifluoromethyl)-1H-indole-3-acetate
CID 4126068

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopentyl-2-hydroxy-2-(1H-indol-2-yl)acetate?
The IUPAC name of methyl 2-cyclopentyl-2-hydroxy-2-(1H-indol-2-yl)acetate (CID 141249860) is methyl 2-cyclopentyl-2-hydroxy-2-(1H-indol-2-yl)acetate.
What is the SMILES notation for methyl 2-cyclopentyl-2-hydroxy-2-(1H-indol-2-yl)acetate?
The canonical SMILES for methyl 2-cyclopentyl-2-hydroxy-2-(1H-indol-2-yl)acetate is COC(=O)C(O)(c1cc2ccccc2[nH]1)C1CCCC1.
What is the InChIKey of methyl 2-cyclopentyl-2-hydroxy-2-(1H-indol-2-yl)acetate?
The InChIKey is BGCWFBUCHKNBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-20-15(18)16(19,12-7-3-4-8-12)14-10-11-6-2-5-9-13(11)17-14/h2,5-6,9-10,12,17,19H,3-4,7-8H2,1H3.
What are the key properties of methyl 2-cyclopentyl-2-hydroxy-2-(1H-indol-2-yl)acetate?
methyl 2-cyclopentyl-2-hydroxy-2-(1H-indol-2-yl)acetate has a molecular weight of 273.33 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopentyl-2-hydroxy-2-(1H-indol-2-yl)acetate is sourced from PubChem (CID 141249860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).