2-(2-tert-butylcyclopropyl)propanoic acid

C10H18O2 — CID 84653839

IUPAC2-(2-tert-butylcyclopropyl)propanoic acid
SMILESCC(C(=O)O)C1CC1C(C)(C)C
InChIInChI=1S/C10H18O2/c1-6(9(11)12)7-5-8(7)10(2,3)4/h6-8H,5H2,1-4H3,(H,11,12)
InChIKeyDVZBRGGZZKDUOI-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.39
Rot. Bonds2

About 2-(2-tert-butylcyclopropyl)propanoic acid

2-(2-tert-butylcyclopropyl)propanoic acid (PubChem CID 84653839) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-(2-tert-butylcyclopropyl)propanoic acid.

Molecular Properties

Compound Name2-(2-tert-butylcyclopropyl)propanoic acid
PubChem CID84653839
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-(2-tert-butylcyclopropyl)propanoic acid
SMILESCC(C(=O)O)C1CC1C(C)(C)C
InChIInChI=1S/C10H18O2/c1-6(9(11)12)7-5-8(7)10(2,3)4/h6-8H,5H2,1-4H3,(H,11,12)
InChIKeyDVZBRGGZZKDUOI-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1R,2R)-2-tert-butylcyclopropyl]ethanol
CID 67159862
trans-(1R,2S)-1-tert-butyl-2-propan-2-ylcyclopropane
CID 167553604
trans-(1S,2R)-1-tert-butyl-2-propan-2-ylcyclopropane
CID 59026893
1-tert-butyl-2-(1,1,1-trifluoropropan-2-yl)cyclopropane
CID 121273921
2-(2-tert-butylcyclopropyl)propan-1-amine
CID 84650286
2-(2-hydroxycycloheptyl)propanoic acid
CID 79418512
2-[(1S,2R)-2-aminocyclohexyl]propanoic acid
CID 130898751
2-(4-hydroxy-1,1-dioxothiolan-3-yl)propanoic acid
CID 79419231
4,6-ditert-butylcyclohexane-1,3-diol
CID 169017952
2-[2-(hydroxymethyl)cyclohexyl]propanoic acid
CID 19848344
2,2-dimethyl-4-(2-methylcyclopropyl)pentan-3-one
CID 121221895
(2S)-2-[(1S,4S)-4-hydroxycyclopent-2-en-1-yl]propanoic acid
CID 129389129

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylcyclopropyl)propanoic acid?
The IUPAC name of 2-(2-tert-butylcyclopropyl)propanoic acid (CID 84653839) is 2-(2-tert-butylcyclopropyl)propanoic acid.
What is the SMILES notation for 2-(2-tert-butylcyclopropyl)propanoic acid?
The canonical SMILES for 2-(2-tert-butylcyclopropyl)propanoic acid is CC(C(=O)O)C1CC1C(C)(C)C.
What is the InChIKey of 2-(2-tert-butylcyclopropyl)propanoic acid?
The InChIKey is DVZBRGGZZKDUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-6(9(11)12)7-5-8(7)10(2,3)4/h6-8H,5H2,1-4H3,(H,11,12).
What are the key properties of 2-(2-tert-butylcyclopropyl)propanoic acid?
2-(2-tert-butylcyclopropyl)propanoic acid has a molecular weight of 170.25 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylcyclopropyl)propanoic acid is sourced from PubChem (CID 84653839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).