2-(1-cyano-3,4-dipropylcyclopentyl)acetic acid

C14H23NO2 — CID 69176349

IUPAC2-(1-cyano-3,4-dipropylcyclopentyl)acetic acid
SMILESCCCC1CC(C#N)(CC(=O)O)CC1CCC
InChIInChI=1S/C14H23NO2/c1-3-5-11-7-14(10-15,9-13(16)17)8-12(11)6-4-2/h11-12H,3-9H2,1-2H3,(H,16,17)
InChIKeyRLEDCUWJWKXNEG-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.60
Rot. Bonds6

About 2-(1-cyano-3,4-dipropylcyclopentyl)acetic acid

2-(1-cyano-3,4-dipropylcyclopentyl)acetic acid (PubChem CID 69176349) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-(1-cyano-3,4-dipropylcyclopentyl)acetic acid.

Molecular Properties

Compound Name2-(1-cyano-3,4-dipropylcyclopentyl)acetic acid
PubChem CID69176349
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-(1-cyano-3,4-dipropylcyclopentyl)acetic acid
SMILESCCCC1CC(C#N)(CC(=O)O)CC1CCC
InChIInChI=1S/C14H23NO2/c1-3-5-11-7-14(10-15,9-13(16)17)8-12(11)6-4-2/h11-12H,3-9H2,1-2H3,(H,16,17)
InChIKeyRLEDCUWJWKXNEG-UHFFFAOYSA-N
XLogP3.60
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,2,3-Trimethylcyclopentyl)butanoic acid
CID 25099817
1,2,2,3-Tetramethylcyclopentane-1-carboxylic acid
CID 520510
[5-(5-Cyano-1-methyl-pentyl)-1-(1,5-dimethyl-hexyl)-7a-methyl-octahydro-inden-4-yl]-acetic acid
CID 44381072
2,15-Dicyano-3,3,14,14-tetramethylhexadecanedioic acid
CID 14614319
2-Cyano-2-cyclopentylacetic acid
CID 14883540
4-(2,2,3-Trimethylcyclopentyl)butanoic acid, cis-
CID 76972708
(1R,3S)-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid
CID 7054089
2-(3-Cyanocyclopentyl)acetic acid
CID 82416968
2-Cyanobicyclo(2.2.1)heptane-2-carboxylic acid
CID 104175346
7-(2-Cyano-5-oxocyclopentyl)heptanoic acid
CID 71357363
2,2,3-Trimethylcyclopentaneacetic acid
CID 98284
(1R,3R)-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid
CID 7054087

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyano-3,4-dipropylcyclopentyl)acetic acid?
The IUPAC name of 2-(1-cyano-3,4-dipropylcyclopentyl)acetic acid (CID 69176349) is 2-(1-cyano-3,4-dipropylcyclopentyl)acetic acid.
What is the SMILES notation for 2-(1-cyano-3,4-dipropylcyclopentyl)acetic acid?
The canonical SMILES for 2-(1-cyano-3,4-dipropylcyclopentyl)acetic acid is CCCC1CC(C#N)(CC(=O)O)CC1CCC.
What is the InChIKey of 2-(1-cyano-3,4-dipropylcyclopentyl)acetic acid?
The InChIKey is RLEDCUWJWKXNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-5-11-7-14(10-15,9-13(16)17)8-12(11)6-4-2/h11-12H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 2-(1-cyano-3,4-dipropylcyclopentyl)acetic acid?
2-(1-cyano-3,4-dipropylcyclopentyl)acetic acid has a molecular weight of 237.34 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyano-3,4-dipropylcyclopentyl)acetic acid is sourced from PubChem (CID 69176349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).