cis-methyl (1R,3S)-3-[(1S)-1-hydroxy-2-methylpropyl]-2,2-dimethylcyclopropane-1-carboxylate

C11H20O3 — CID 134892065

IUPACcis-methyl (1R,3S)-3-[(1S)-1-hydroxy-2-methylpropyl]-2,2-dimethylcyclopropane-1-carboxylate
SMILESCOC(=O)[C@@H]1[C@H]([C@@H](O)C(C)C)C1(C)C
InChIInChI=1S/C11H20O3/c1-6(2)9(12)7-8(10(13)14-5)11(7,3)4/h6-9,12H,1-5H3/t7-,8+,9+/m1/s1
InChIKeyGMAGJGOSPMQWSU-VGMNWLOBSA-N
MW200.28 g/mol
LogP1.45
Rot. Bonds3

About cis-methyl (1R,3S)-3-[(1S)-1-hydroxy-2-methylpropyl]-2,2-dimethylcyclopropane-1-carboxylate

cis-methyl (1R,3S)-3-[(1S)-1-hydroxy-2-methylpropyl]-2,2-dimethylcyclopropane-1-carboxylate (PubChem CID 134892065) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is cis-methyl (1R,3S)-3-[(1S)-1-hydroxy-2-methylpropyl]-2,2-dimethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1R,3S)-3-[(1S)-1-hydroxy-2-methylpropyl]-2,2-dimethylcyclopropane-1-carboxylate
PubChem CID134892065
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Namecis-methyl (1R,3S)-3-[(1S)-1-hydroxy-2-methylpropyl]-2,2-dimethylcyclopropane-1-carboxylate
SMILESCOC(=O)[C@@H]1[C@H]([C@@H](O)C(C)C)C1(C)C
InChIInChI=1S/C11H20O3/c1-6(2)9(12)7-8(10(13)14-5)11(7,3)4/h6-9,12H,1-5H3/t7-,8+,9+/m1/s1
InChIKeyGMAGJGOSPMQWSU-VGMNWLOBSA-N
XLogP1.45
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,5-Dimethyl-6-oxaspiro[2.5]octane-1-carboxylic acid
CID 64137839
5-Methyl-6-oxaspiro(2.5)octane-1-carboxylic acid
CID 64138036
5-Ethoxyspiro[2.3]hexane-1-carboxylic acid
CID 106823962
Methyl 5-hydroxyspiro[2.3]hexane-1-carboxylate
CID 131438670
2-(3-Methoxy-2,2-dimethylcyclobutyl)acetic acid
CID 137935575
5-(Tert-butoxy)spiro(2.3)hexane-1-carboxylic acid
CID 146081992
Methyl 3-(3,3-dimethyloxiran-2-yl)-2,2-dimethylcyclopropane-1-carboxylate
CID 72765498
2-[(2S,3R,4R,5S,6R)-4,5-bis(2-carboxypropan-2-yl)-6-fluoro-2-methyloxan-3-yl]-2-methylpropanoic acid
CID 176204479
3-(2-Hydroxy-2-methylpropyl)-2,2-dimethylcyclopropanecarboxylic acid
CID 548046
dimethyl 2-[(2R,3R)-3-hydroxybutan-2-yl]cyclopropane-1,1-dicarboxylate
CID 11708429
trans-methyl (1R,2R)-2-(1-hydroxyethyl)-1-methylcyclobutane-1-carboxylate
CID 13869965
cis-ethyl (1S,3R)-3-(3,3-dimethyloxiran-2-yl)-2,2-dimethylcyclopropane-1-carboxylate
CID 101207211

Frequently Asked Questions

What is the IUPAC name of cis-methyl (1R,3S)-3-[(1S)-1-hydroxy-2-methylpropyl]-2,2-dimethylcyclopropane-1-carboxylate?
The IUPAC name of cis-methyl (1R,3S)-3-[(1S)-1-hydroxy-2-methylpropyl]-2,2-dimethylcyclopropane-1-carboxylate (CID 134892065) is cis-methyl (1R,3S)-3-[(1S)-1-hydroxy-2-methylpropyl]-2,2-dimethylcyclopropane-1-carboxylate.
What is the SMILES notation for cis-methyl (1R,3S)-3-[(1S)-1-hydroxy-2-methylpropyl]-2,2-dimethylcyclopropane-1-carboxylate?
The canonical SMILES for cis-methyl (1R,3S)-3-[(1S)-1-hydroxy-2-methylpropyl]-2,2-dimethylcyclopropane-1-carboxylate is COC(=O)[C@@H]1[C@H]([C@@H](O)C(C)C)C1(C)C.
What is the InChIKey of cis-methyl (1R,3S)-3-[(1S)-1-hydroxy-2-methylpropyl]-2,2-dimethylcyclopropane-1-carboxylate?
The InChIKey is GMAGJGOSPMQWSU-VGMNWLOBSA-N. The full InChI is InChI=1S/C11H20O3/c1-6(2)9(12)7-8(10(13)14-5)11(7,3)4/h6-9,12H,1-5H3/t7-,8+,9+/m1/s1.
What are the key properties of cis-methyl (1R,3S)-3-[(1S)-1-hydroxy-2-methylpropyl]-2,2-dimethylcyclopropane-1-carboxylate?
cis-methyl (1R,3S)-3-[(1S)-1-hydroxy-2-methylpropyl]-2,2-dimethylcyclopropane-1-carboxylate has a molecular weight of 200.28 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1R,3S)-3-[(1S)-1-hydroxy-2-methylpropyl]-2,2-dimethylcyclopropane-1-carboxylate is sourced from PubChem (CID 134892065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).