(1S,5R)-3-(2-methylpropyl)bicyclo[3.1.0]hexane-3-carboxylic acid

C11H18O2 — CID 58720022

IUPAC(1S,5R)-3-(2-methylpropyl)bicyclo[3.1.0]hexane-3-carboxylic acid
SMILESCC(C)CC1(C(=O)O)C[C@H]2C[C@H]2C1
InChIInChI=1S/C11H18O2/c1-7(2)4-11(10(12)13)5-8-3-9(8)6-11/h7-9H,3-6H2,1-2H3,(H,12,13)/t8-,9+,11?
InChIKeyOLQMXFVOGHVDCS-SLHIUPAKSA-N
MW182.26 g/mol
LogP2.53
Rot. Bonds3

About (1S,5R)-3-(2-methylpropyl)bicyclo[3.1.0]hexane-3-carboxylic acid

(1S,5R)-3-(2-methylpropyl)bicyclo[3.1.0]hexane-3-carboxylic acid (PubChem CID 58720022) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (1S,5R)-3-(2-methylpropyl)bicyclo[3.1.0]hexane-3-carboxylic acid.

Molecular Properties

Compound Name(1S,5R)-3-(2-methylpropyl)bicyclo[3.1.0]hexane-3-carboxylic acid
PubChem CID58720022
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(1S,5R)-3-(2-methylpropyl)bicyclo[3.1.0]hexane-3-carboxylic acid
SMILESCC(C)CC1(C(=O)O)C[C@H]2C[C@H]2C1
InChIInChI=1S/C11H18O2/c1-7(2)4-11(10(12)13)5-8-3-9(8)6-11/h7-9H,3-6H2,1-2H3,(H,12,13)/t8-,9+,11?
InChIKeyOLQMXFVOGHVDCS-SLHIUPAKSA-N
XLogP2.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-difluoro-1-(2-methylpropyl)cyclobutane-1-carboxylic acid
CID 115018921
4-methyl-1-(2-methylpropyl)cyclohexane-1-carboxylic acid
CID 65394081
3-(2-propoxyethyl)bicyclo[3.1.0]hexane-3-carboxylic acid
CID 106454928
3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]bicyclo[3.1.0]hexane-3-carboxylic acid
CID 113427264
(1R,2R,4R)-2-(2-methylpropyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 130934634
1-(2-methylpropyl)cyclopropane-1-carbonyl chloride
CID 139221866
3-(2-methylpropyl)pyrrolidine-3-carboxylic acid
CID 63140661
2-(2-methylpropyl)-1,3-dihydroindene-2-carboxylic acid
CID 65407568
4-(cyclopropanecarbonyl)-1-(2-methylpropyl)-3,5-dioxocyclohexane-1-carboxylic acid
CID 57142013
3-[(3,5-difluorophenyl)methyl]bicyclo[3.1.0]hexane-3-carboxylic acid
CID 105404818
3-[(2-methyltetrazol-5-yl)methyl]bicyclo[3.1.0]hexane-3-carboxylic acid
CID 107045169
1-(2-carboxypropyl)cyclopropane-1-carboxylic acid
CID 59921337

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-(2-methylpropyl)bicyclo[3.1.0]hexane-3-carboxylic acid?
The IUPAC name of (1S,5R)-3-(2-methylpropyl)bicyclo[3.1.0]hexane-3-carboxylic acid (CID 58720022) is (1S,5R)-3-(2-methylpropyl)bicyclo[3.1.0]hexane-3-carboxylic acid.
What is the SMILES notation for (1S,5R)-3-(2-methylpropyl)bicyclo[3.1.0]hexane-3-carboxylic acid?
The canonical SMILES for (1S,5R)-3-(2-methylpropyl)bicyclo[3.1.0]hexane-3-carboxylic acid is CC(C)CC1(C(=O)O)C[C@H]2C[C@H]2C1.
What is the InChIKey of (1S,5R)-3-(2-methylpropyl)bicyclo[3.1.0]hexane-3-carboxylic acid?
The InChIKey is OLQMXFVOGHVDCS-SLHIUPAKSA-N. The full InChI is InChI=1S/C11H18O2/c1-7(2)4-11(10(12)13)5-8-3-9(8)6-11/h7-9H,3-6H2,1-2H3,(H,12,13)/t8-,9+,11?.
What are the key properties of (1S,5R)-3-(2-methylpropyl)bicyclo[3.1.0]hexane-3-carboxylic acid?
(1S,5R)-3-(2-methylpropyl)bicyclo[3.1.0]hexane-3-carboxylic acid has a molecular weight of 182.26 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-(2-methylpropyl)bicyclo[3.1.0]hexane-3-carboxylic acid is sourced from PubChem (CID 58720022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).