2-(2-tert-butyl-2-methylcyclopropyl)acetic acid

C10H18O2 — CID 84653843

IUPAC2-(2-tert-butyl-2-methylcyclopropyl)acetic acid
SMILESCC(C)(C)C1(C)CC1CC(=O)O
InChIInChI=1S/C10H18O2/c1-9(2,3)10(4)6-7(10)5-8(11)12/h7H,5-6H2,1-4H3,(H,11,12)
InChIKeyVTIWFRRHKJBNIM-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.53
Rot. Bonds2

About 2-(2-tert-butyl-2-methylcyclopropyl)acetic acid

2-(2-tert-butyl-2-methylcyclopropyl)acetic acid (PubChem CID 84653843) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-(2-tert-butyl-2-methylcyclopropyl)acetic acid.

Molecular Properties

Compound Name2-(2-tert-butyl-2-methylcyclopropyl)acetic acid
PubChem CID84653843
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-(2-tert-butyl-2-methylcyclopropyl)acetic acid
SMILESCC(C)(C)C1(C)CC1CC(=O)O
InChIInChI=1S/C10H18O2/c1-9(2,3)10(4)6-7(10)5-8(11)12/h7H,5-6H2,1-4H3,(H,11,12)
InChIKeyVTIWFRRHKJBNIM-UHFFFAOYSA-N
XLogP2.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(2R)-2-tert-butyl-2-methylcyclopropyl]methanol
CID 89425175
2-[(1R)-2,2-dichlorocyclopropyl]acetic acid
CID 99811196
2-(3,3,4,4-tetramethylcyclopentyl)acetic acid
CID 135389559
2-(2-cyclohexyl-2-methylcyclopropyl)acetic acid
CID 84667097
2-[(1S,3S)-3-formyl-2,2-dimethylcyclobutyl]acetic acid
CID 100961637
2-[2-methyl-2-(4-methylphenyl)cyclopropyl]acetic acid
CID 84672432
2-(carboxymethyl)-1-(carboxymethylcarbamoylamino)cyclopropane-1-carboxylic acid
CID 144538821
1-amino-2-(carboxymethyl)cyclopropane-1-carboxylic acid;hydrochloride
CID 75132599
trans-(1R,3S)-3-(carboxymethyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 15559668
2-[(1S,3S)-2,2,3-trimethyl-4-oxocyclopentyl]acetic acid
CID 90659158
2-[(1S,3R)-2,2,3-trimethyl-4-oxocyclopentyl]acetic acid
CID 90658047
2-(1-cyclopropyl-2,2-dimethylpyrrolidin-3-yl)acetic acid
CID 117017329

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-2-methylcyclopropyl)acetic acid?
The IUPAC name of 2-(2-tert-butyl-2-methylcyclopropyl)acetic acid (CID 84653843) is 2-(2-tert-butyl-2-methylcyclopropyl)acetic acid.
What is the SMILES notation for 2-(2-tert-butyl-2-methylcyclopropyl)acetic acid?
The canonical SMILES for 2-(2-tert-butyl-2-methylcyclopropyl)acetic acid is CC(C)(C)C1(C)CC1CC(=O)O.
What is the InChIKey of 2-(2-tert-butyl-2-methylcyclopropyl)acetic acid?
The InChIKey is VTIWFRRHKJBNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-9(2,3)10(4)6-7(10)5-8(11)12/h7H,5-6H2,1-4H3,(H,11,12).
What are the key properties of 2-(2-tert-butyl-2-methylcyclopropyl)acetic acid?
2-(2-tert-butyl-2-methylcyclopropyl)acetic acid has a molecular weight of 170.25 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-2-methylcyclopropyl)acetic acid is sourced from PubChem (CID 84653843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).