2-cyano-2-(1-propan-2-ylcyclopentyl)acetic acid

C11H17NO2 — CID 70180199

IUPAC2-cyano-2-(1-propan-2-ylcyclopentyl)acetic acid
SMILESCC(C)C1(C(C#N)C(=O)O)CCCC1
InChIInChI=1S/C11H17NO2/c1-8(2)11(5-3-4-6-11)9(7-12)10(13)14/h8-9H,3-6H2,1-2H3,(H,13,14)
InChIKeyDHSPRYXJWFTCOH-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.43
Rot. Bonds3

About 2-cyano-2-(1-propan-2-ylcyclopentyl)acetic acid

2-cyano-2-(1-propan-2-ylcyclopentyl)acetic acid (PubChem CID 70180199) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-cyano-2-(1-propan-2-ylcyclopentyl)acetic acid.

Molecular Properties

Compound Name2-cyano-2-(1-propan-2-ylcyclopentyl)acetic acid
PubChem CID70180199
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-cyano-2-(1-propan-2-ylcyclopentyl)acetic acid
SMILESCC(C)C1(C(C#N)C(=O)O)CCCC1
InChIInChI=1S/C11H17NO2/c1-8(2)11(5-3-4-6-11)9(7-12)10(13)14/h8-9H,3-6H2,1-2H3,(H,13,14)
InChIKeyDHSPRYXJWFTCOH-UHFFFAOYSA-N
XLogP2.43
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-(1-propan-2-ylcyclopentyl)acetic acid?
The IUPAC name of 2-cyano-2-(1-propan-2-ylcyclopentyl)acetic acid (CID 70180199) is 2-cyano-2-(1-propan-2-ylcyclopentyl)acetic acid.
What is the SMILES notation for 2-cyano-2-(1-propan-2-ylcyclopentyl)acetic acid?
The canonical SMILES for 2-cyano-2-(1-propan-2-ylcyclopentyl)acetic acid is CC(C)C1(C(C#N)C(=O)O)CCCC1.
What is the InChIKey of 2-cyano-2-(1-propan-2-ylcyclopentyl)acetic acid?
The InChIKey is DHSPRYXJWFTCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-8(2)11(5-3-4-6-11)9(7-12)10(13)14/h8-9H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 2-cyano-2-(1-propan-2-ylcyclopentyl)acetic acid?
2-cyano-2-(1-propan-2-ylcyclopentyl)acetic acid has a molecular weight of 195.26 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-(1-propan-2-ylcyclopentyl)acetic acid is sourced from PubChem (CID 70180199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).