(1R,5S)-6-methoxybicyclo[3.2.0]heptane-3-carboxylic acid

C9H14O3 — CID 171921101

IUPAC(1R,5S)-6-methoxybicyclo[3.2.0]heptane-3-carboxylic acid
SMILESCOC1C[C@H]2CC(C(=O)O)C[C@H]12
InChIInChI=1S/C9H14O3/c1-12-8-4-5-2-6(9(10)11)3-7(5)8/h5-8H,2-4H2,1H3,(H,10,11)/t5-,6?,7+,8?/m1/s1
InChIKeyZYUSJOFZLGFEMK-RRABCLCVSA-N
MW170.21 g/mol
LogP1.13
Rot. Bonds2

About (1R,5S)-6-methoxybicyclo[3.2.0]heptane-3-carboxylic acid

(1R,5S)-6-methoxybicyclo[3.2.0]heptane-3-carboxylic acid (PubChem CID 171921101) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is (1R,5S)-6-methoxybicyclo[3.2.0]heptane-3-carboxylic acid.

Molecular Properties

Compound Name(1R,5S)-6-methoxybicyclo[3.2.0]heptane-3-carboxylic acid
PubChem CID171921101
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name(1R,5S)-6-methoxybicyclo[3.2.0]heptane-3-carboxylic acid
SMILESCOC1C[C@H]2CC(C(=O)O)C[C@H]12
InChIInChI=1S/C9H14O3/c1-12-8-4-5-2-6(9(10)11)3-7(5)8/h5-8H,2-4H2,1H3,(H,10,11)/t5-,6?,7+,8?/m1/s1
InChIKeyZYUSJOFZLGFEMK-RRABCLCVSA-N
XLogP1.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 18688040
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CID 46220104
cis-(1R,2S)-2-methoxycyclopropane-1-carboxylic acid
CID 14269839
(1S,3S,4R)-4-hydroxy-3-methoxycyclohexane-1-carboxylic acid
CID 139598760
2-methoxycyclobutane-1-carboxylic acid
CID 130021042
3,5-bis(methoxycarbonyl)cyclohexane-1-carboxylic acid
CID 23444132
methyl (1S,5S,6S)-6-aminobicyclo[3.2.0]heptane-3-carboxylate;hydrochloride
CID 178190128
(9-methoxy-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) prop-2-enoate
CID 20727718
trans-(3R,4R)-3,4-dibromocyclopentane-1-carboxylic acid
CID 737099
3-methylcyclobutane-1-carboxylic acid
CID 3044406
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3,5-dicarboxylic acid
CID 75089596
3-methoxy-4-(2-methoxypropan-2-yl)cyclohexane-1-carboxylic acid
CID 140646844

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-6-methoxybicyclo[3.2.0]heptane-3-carboxylic acid?
The IUPAC name of (1R,5S)-6-methoxybicyclo[3.2.0]heptane-3-carboxylic acid (CID 171921101) is (1R,5S)-6-methoxybicyclo[3.2.0]heptane-3-carboxylic acid.
What is the SMILES notation for (1R,5S)-6-methoxybicyclo[3.2.0]heptane-3-carboxylic acid?
The canonical SMILES for (1R,5S)-6-methoxybicyclo[3.2.0]heptane-3-carboxylic acid is COC1C[C@H]2CC(C(=O)O)C[C@H]12.
What is the InChIKey of (1R,5S)-6-methoxybicyclo[3.2.0]heptane-3-carboxylic acid?
The InChIKey is ZYUSJOFZLGFEMK-RRABCLCVSA-N. The full InChI is InChI=1S/C9H14O3/c1-12-8-4-5-2-6(9(10)11)3-7(5)8/h5-8H,2-4H2,1H3,(H,10,11)/t5-,6?,7+,8?/m1/s1.
What are the key properties of (1R,5S)-6-methoxybicyclo[3.2.0]heptane-3-carboxylic acid?
(1R,5S)-6-methoxybicyclo[3.2.0]heptane-3-carboxylic acid has a molecular weight of 170.21 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-6-methoxybicyclo[3.2.0]heptane-3-carboxylic acid is sourced from PubChem (CID 171921101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).