anisole;1-cyclohexylpyrrolidine-3-carboxylic acid;ethane

C22H39NO3 — CID 144968395

IUPACanisole;1-cyclohexylpyrrolidine-3-carboxylic acid;ethane
SMILESCC.CC.COc1ccccc1.O=C(O)C1CCN(C2CCCCC2)C1
InChIInChI=1S/C11H19NO2.C7H8O.2C2H6/c13-11(14)9-6-7-12(8-9)10-4-2-1-3-5-10;1-8-7-5-3-2-4-6-7;2*1-2/h9-10H,1-8H2,(H,13,14);2-6H,1H3;2*1-2H3
InChIKeyMLSUIYZVKDXODL-UHFFFAOYSA-N
MW365.56 g/mol
LogP5.47
Rot. Bonds3

About anisole;1-cyclohexylpyrrolidine-3-carboxylic acid;ethane

anisole;1-cyclohexylpyrrolidine-3-carboxylic acid;ethane (PubChem CID 144968395) has the molecular formula C22H39NO3 and a molecular weight of 365.56 g/mol. Its IUPAC name is anisole;1-cyclohexylpyrrolidine-3-carboxylic acid;ethane.

Molecular Properties

Compound Nameanisole;1-cyclohexylpyrrolidine-3-carboxylic acid;ethane
PubChem CID144968395
Molecular FormulaC22H39NO3
Molecular Weight365.56 g/mol
Exact Mass365.29
IUPAC Nameanisole;1-cyclohexylpyrrolidine-3-carboxylic acid;ethane
SMILESCC.CC.COc1ccccc1.O=C(O)C1CCN(C2CCCCC2)C1
InChIInChI=1S/C11H19NO2.C7H8O.2C2H6/c13-11(14)9-6-7-12(8-9)10-4-2-1-3-5-10;1-8-7-5-3-2-4-6-7;2*1-2/h9-10H,1-8H2,(H,13,14);2-6H,1H3;2*1-2H3
InChIKeyMLSUIYZVKDXODL-UHFFFAOYSA-N
XLogP5.47
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.56
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 28875717
(3S)-1-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 28875723
1-cyclohexyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 111750687
1-[2-(4-methoxyphenyl)acetyl]pyrrolidine-3-carboxylic acid
CID 63006760
1-[2-(4-methoxyphenoxy)propanoyl]pyrrolidine-3-carboxylic acid
CID 63032662
(3R)-N-[(S)-cyano-(2-methoxyphenyl)methyl]-1-cyclohexylpyrrolidine-3-carboxamide
CID 96528500
[(3S,4S)-1-cyclobutyl-4-phenylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 121479259
1-[4-(1-cyclooctylpiperidin-4-yl)-3-oxoquinoxalin-2-yl]pyrrolidine-3-carboxylic acid
CID 59451028
(3R)-1-[2-(4-methoxyanilino)benzoyl]pyrrolidine-3-carboxylic acid
CID 124688795
(3R)-1-cyclopentyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 155019917
(3R)-1-[(4-methoxyphenyl)-methylcarbamoyl]piperidine-3-carboxylic acid
CID 81120360
(4-cycloheptylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 113074909

Frequently Asked Questions

What is the IUPAC name of anisole;1-cyclohexylpyrrolidine-3-carboxylic acid;ethane?
The IUPAC name of anisole;1-cyclohexylpyrrolidine-3-carboxylic acid;ethane (CID 144968395) is anisole;1-cyclohexylpyrrolidine-3-carboxylic acid;ethane.
What is the SMILES notation for anisole;1-cyclohexylpyrrolidine-3-carboxylic acid;ethane?
The canonical SMILES for anisole;1-cyclohexylpyrrolidine-3-carboxylic acid;ethane is CC.CC.COc1ccccc1.O=C(O)C1CCN(C2CCCCC2)C1.
What is the InChIKey of anisole;1-cyclohexylpyrrolidine-3-carboxylic acid;ethane?
The InChIKey is MLSUIYZVKDXODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2.C7H8O.2C2H6/c13-11(14)9-6-7-12(8-9)10-4-2-1-3-5-10;1-8-7-5-3-2-4-6-7;2*1-2/h9-10H,1-8H2,(H,13,14);2-6H,1H3;2*1-2H3.
What are the key properties of anisole;1-cyclohexylpyrrolidine-3-carboxylic acid;ethane?
anisole;1-cyclohexylpyrrolidine-3-carboxylic acid;ethane has a molecular weight of 365.56 g/mol, XLogP of 5.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;1-cyclohexylpyrrolidine-3-carboxylic acid;ethane is sourced from PubChem (CID 144968395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).