2-(3-cyanocyclopentyl)acetic acid

C8H11NO2 — CID 82416968

IUPAC2-(3-cyanocyclopentyl)acetic acid
SMILESN#CC1CCC(CC(=O)O)C1
InChIInChI=1S/C8H11NO2/c9-5-7-2-1-6(3-7)4-8(10)11/h6-7H,1-4H2,(H,10,11)
InChIKeyHHTWDCOTFGRATD-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.40
Rot. Bonds2

About 2-(3-cyanocyclopentyl)acetic acid

2-(3-cyanocyclopentyl)acetic acid (PubChem CID 82416968) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 2-(3-cyanocyclopentyl)acetic acid.

Molecular Properties

Compound Name2-(3-cyanocyclopentyl)acetic acid
PubChem CID82416968
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name2-(3-cyanocyclopentyl)acetic acid
SMILESN#CC1CCC(CC(=O)O)C1
InChIInChI=1S/C8H11NO2/c9-5-7-2-1-6(3-7)4-8(10)11/h6-7H,1-4H2,(H,10,11)
InChIKeyHHTWDCOTFGRATD-UHFFFAOYSA-N
XLogP1.40
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanocyclopentyl)acetic acid?
The IUPAC name of 2-(3-cyanocyclopentyl)acetic acid (CID 82416968) is 2-(3-cyanocyclopentyl)acetic acid.
What is the SMILES notation for 2-(3-cyanocyclopentyl)acetic acid?
The canonical SMILES for 2-(3-cyanocyclopentyl)acetic acid is N#CC1CCC(CC(=O)O)C1.
What is the InChIKey of 2-(3-cyanocyclopentyl)acetic acid?
The InChIKey is HHTWDCOTFGRATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c9-5-7-2-1-6(3-7)4-8(10)11/h6-7H,1-4H2,(H,10,11).
What are the key properties of 2-(3-cyanocyclopentyl)acetic acid?
2-(3-cyanocyclopentyl)acetic acid has a molecular weight of 153.18 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanocyclopentyl)acetic acid is sourced from PubChem (CID 82416968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).