2-methoxycyclobutane-1-carboxylic acid

C6H10O3 — CID 130021042

IUPAC2-methoxycyclobutane-1-carboxylic acid
SMILESCOC1CCC1C(=O)O
InChIInChI=1S/C6H10O3/c1-9-5-3-2-4(5)6(7)8/h4-5H,2-3H2,1H3,(H,7,8)
InChIKeyXNZZCIUDRKWFTF-UHFFFAOYSA-N
MW130.14 g/mol
LogP0.50
Rot. Bonds2

About 2-methoxycyclobutane-1-carboxylic acid

2-methoxycyclobutane-1-carboxylic acid (PubChem CID 130021042) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is 2-methoxycyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-methoxycyclobutane-1-carboxylic acid
PubChem CID130021042
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name2-methoxycyclobutane-1-carboxylic acid
SMILESCOC1CCC1C(=O)O
InChIInChI=1S/C6H10O3/c1-9-5-3-2-4(5)6(7)8/h4-5H,2-3H2,1H3,(H,7,8)
InChIKeyXNZZCIUDRKWFTF-UHFFFAOYSA-N
XLogP0.50
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2S)-2-methoxycyclopropane-1-carboxylic acid
CID 14269839
(1S,3S,4R)-4-hydroxy-3-methoxycyclohexane-1-carboxylic acid
CID 139598760
(1R,2R,4S)-4-methoxy-2-methylcyclohexane-1-carboxylic acid
CID 125470813
(2R)-cyclobutane-1,2-dicarboxylic acid
CID 135193426
cis-(1R,2S)-2-methoxycyclopentane-1-carbonyl chloride
CID 14711766
3,4,5-trimethoxycyclohexane-1-carboxylic acid
CID 18688040
methyl 5-acetyl-2-methoxycyclohexane-1-carboxylate
CID 71192390
2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethoxycyclohexane-1-carboxylic acid
CID 90154627
1-[(1S,2S)-2-methoxycyclopropyl]ethanone
CID 134856757
4-methoxy-1-prop-2-enoylpiperidine-3-carboxylic acid
CID 155822941
(2S)-2-methylcyclopropane-1-carboxylic acid
CID 70278837
trans-(1R,2R)-2-methylcyclopropane-1-carboxylic acid
CID 6995705

Frequently Asked Questions

What is the IUPAC name of 2-methoxycyclobutane-1-carboxylic acid?
The IUPAC name of 2-methoxycyclobutane-1-carboxylic acid (CID 130021042) is 2-methoxycyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-methoxycyclobutane-1-carboxylic acid?
The canonical SMILES for 2-methoxycyclobutane-1-carboxylic acid is COC1CCC1C(=O)O.
What is the InChIKey of 2-methoxycyclobutane-1-carboxylic acid?
The InChIKey is XNZZCIUDRKWFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c1-9-5-3-2-4(5)6(7)8/h4-5H,2-3H2,1H3,(H,7,8).
What are the key properties of 2-methoxycyclobutane-1-carboxylic acid?
2-methoxycyclobutane-1-carboxylic acid has a molecular weight of 130.14 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxycyclobutane-1-carboxylic acid is sourced from PubChem (CID 130021042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).