2-(1-butan-2-ylcyclopentyl)acetic acid

C11H20O2 — CID 83817372

IUPAC2-(1-butan-2-ylcyclopentyl)acetic acid
SMILESCCC(C)C1(CC(=O)O)CCCC1
InChIInChI=1S/C11H20O2/c1-3-9(2)11(8-10(12)13)6-4-5-7-11/h9H,3-8H2,1-2H3,(H,12,13)
InChIKeyUOXZQJNMZISACE-UHFFFAOYSA-N
MW184.28 g/mol
LogP3.07
Rot. Bonds4

About 2-(1-butan-2-ylcyclopentyl)acetic acid

2-(1-butan-2-ylcyclopentyl)acetic acid (PubChem CID 83817372) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-(1-butan-2-ylcyclopentyl)acetic acid.

Molecular Properties

Compound Name2-(1-butan-2-ylcyclopentyl)acetic acid
PubChem CID83817372
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-(1-butan-2-ylcyclopentyl)acetic acid
SMILESCCC(C)C1(CC(=O)O)CCCC1
InChIInChI=1S/C11H20O2/c1-3-9(2)11(8-10(12)13)6-4-5-7-11/h9H,3-8H2,1-2H3,(H,12,13)
InChIKeyUOXZQJNMZISACE-UHFFFAOYSA-N
XLogP3.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1-butan-2-ylcyclohexyl)acetic acid
CID 83819034
2-(3-butan-2-ylthiolan-3-yl)acetic acid
CID 83819549
2-[1-[1-amino-2-[2-(2-methylpropanoyloxy)propan-2-yloxy]-2-oxoethyl]cyclohexyl]acetic acid
CID 68800596
2-[1-(1-amino-2-oxopropyl)cyclohexyl]acetic acid
CID 70185847
2-[1-(1-aminopropyl)-4,4-dimethylcycloheptyl]acetic acid
CID 66097341
2-[3-(1-fluoroethyl)thian-3-yl]acetic acid
CID 115024732
2-(2-butan-2-yl-1-methylcyclohexyl)acetic acid
CID 70517703
2-[1-(3-methylpentanoylamino)cyclopentyl]acetic acid
CID 114873756
2-[1-(1-aminoethyl)-4-propan-2-ylcycloheptyl]acetic acid
CID 66096455
2-(1-octylcyclopentyl)propanoic acid
CID 175475945
2-[1-[2-(3-ethylpentan-2-ylamino)-2-oxoethyl]cyclopentyl]acetic acid
CID 63842782
ethane;2-[1-(2-oxopropyl)cyclopentyl]acetic acid
CID 143530710

Frequently Asked Questions

What is the IUPAC name of 2-(1-butan-2-ylcyclopentyl)acetic acid?
The IUPAC name of 2-(1-butan-2-ylcyclopentyl)acetic acid (CID 83817372) is 2-(1-butan-2-ylcyclopentyl)acetic acid.
What is the SMILES notation for 2-(1-butan-2-ylcyclopentyl)acetic acid?
The canonical SMILES for 2-(1-butan-2-ylcyclopentyl)acetic acid is CCC(C)C1(CC(=O)O)CCCC1.
What is the InChIKey of 2-(1-butan-2-ylcyclopentyl)acetic acid?
The InChIKey is UOXZQJNMZISACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-9(2)11(8-10(12)13)6-4-5-7-11/h9H,3-8H2,1-2H3,(H,12,13).
What are the key properties of 2-(1-butan-2-ylcyclopentyl)acetic acid?
2-(1-butan-2-ylcyclopentyl)acetic acid has a molecular weight of 184.28 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butan-2-ylcyclopentyl)acetic acid is sourced from PubChem (CID 83817372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).