methyl 3-hydroxy-1-methoxycyclobutane-1-carboxylate

C7H12O4 — CID 137347052

IUPACmethyl 3-hydroxy-1-methoxycyclobutane-1-carboxylate
SMILESCOC(=O)C1(OC)CC(O)C1
InChIInChI=1S/C7H12O4/c1-10-6(9)7(11-2)3-5(8)4-7/h5,8H,3-4H2,1-2H3
InChIKeyGXVXCKZDBNGPFG-UHFFFAOYSA-N
MW160.17 g/mol
LogP-0.30
Rot. Bonds2

About methyl 3-hydroxy-1-methoxycyclobutane-1-carboxylate

methyl 3-hydroxy-1-methoxycyclobutane-1-carboxylate (PubChem CID 137347052) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is methyl 3-hydroxy-1-methoxycyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-hydroxy-1-methoxycyclobutane-1-carboxylate
PubChem CID137347052
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Namemethyl 3-hydroxy-1-methoxycyclobutane-1-carboxylate
SMILESCOC(=O)C1(OC)CC(O)C1
InChIInChI=1S/C7H12O4/c1-10-6(9)7(11-2)3-5(8)4-7/h5,8H,3-4H2,1-2H3
InChIKeyGXVXCKZDBNGPFG-UHFFFAOYSA-N
XLogP-0.30
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-hydroxy-1-methoxycyclobutane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-(hydroxymethyl)-1-methoxycyclobutane-1-carboxylate
CID 178200449
methyl (3S)-3-methoxy-5-methylpiperidine-3-carboxylate
CID 178133237
methyl (3S)-3-methoxyoxolane-3-carboxylate
CID 125113070
3,3-dimethoxycyclobutan-1-ol
CID 130945109
methyl (3aR,6aS)-5-hydroxy-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-pentalene-2-carboxylate
CID 130762589
trans-methyl (1S,3R)-3-hydroxy-1-methylcyclopentane-1-carboxylate
CID 99866879
methyl 3-hydroxy-1-propylcyclopentane-1-carboxylate
CID 67858041
dimethyl (1R,3R,5R,7R)-tricyclo[3.3.0.03,7]octane-1,3-dicarboxylate
CID 102319809
trans-(3R,5R)-3,4,5-trihydroxy-1-methoxycyclohexane-1-carboxylic acid
CID 130981169
ethyl 3-iodo-1-methoxycyclobutane-1-carboxylate
CID 130422583
methyl 3-methoxypiperidine-3-carboxylate
CID 165438540
methyl (1R,3R,4R)-3-hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylate
CID 6543385

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-1-methoxycyclobutane-1-carboxylate?
The IUPAC name of methyl 3-hydroxy-1-methoxycyclobutane-1-carboxylate (CID 137347052) is methyl 3-hydroxy-1-methoxycyclobutane-1-carboxylate.
What is the SMILES notation for methyl 3-hydroxy-1-methoxycyclobutane-1-carboxylate?
The canonical SMILES for methyl 3-hydroxy-1-methoxycyclobutane-1-carboxylate is COC(=O)C1(OC)CC(O)C1.
What is the InChIKey of methyl 3-hydroxy-1-methoxycyclobutane-1-carboxylate?
The InChIKey is GXVXCKZDBNGPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4/c1-10-6(9)7(11-2)3-5(8)4-7/h5,8H,3-4H2,1-2H3.
What are the key properties of methyl 3-hydroxy-1-methoxycyclobutane-1-carboxylate?
methyl 3-hydroxy-1-methoxycyclobutane-1-carboxylate has a molecular weight of 160.17 g/mol, XLogP of -0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-1-methoxycyclobutane-1-carboxylate is sourced from PubChem (CID 137347052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).