methyl 3-(hydroxycarbamoyl)cyclobutane-1-carboxylate

C7H11NO4 — CID 130678698

IUPACmethyl 3-(hydroxycarbamoyl)cyclobutane-1-carboxylate
SMILESCOC(=O)C1CC(C(=O)NO)C1
InChIInChI=1S/C7H11NO4/c1-12-7(10)5-2-4(3-5)6(9)8-11/h4-5,11H,2-3H2,1H3,(H,8,9)
InChIKeyFPGQMKAPYOZBMR-UHFFFAOYSA-N
MW173.17 g/mol
LogP-0.31
Rot. Bonds2

About methyl 3-(hydroxycarbamoyl)cyclobutane-1-carboxylate

methyl 3-(hydroxycarbamoyl)cyclobutane-1-carboxylate (PubChem CID 130678698) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is methyl 3-(hydroxycarbamoyl)cyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(hydroxycarbamoyl)cyclobutane-1-carboxylate
PubChem CID130678698
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Namemethyl 3-(hydroxycarbamoyl)cyclobutane-1-carboxylate
SMILESCOC(=O)C1CC(C(=O)NO)C1
InChIInChI=1S/C7H11NO4/c1-12-7(10)5-2-4(3-5)6(9)8-11/h4-5,11H,2-3H2,1H3,(H,8,9)
InChIKeyFPGQMKAPYOZBMR-UHFFFAOYSA-N
XLogP-0.31
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Methyl 5-amino-4-methyl-5-oxopentanoate
CID 21803134
cis-Methyl 3-carbamoylcyclobutanecarboxylate
CID 45084475
methyl (2R)-5-amino-2-methyl-5-oxopentanoate
CID 89970181
Methyl 5-amino-2-methyl-5-oxopentanoate
CID 90851430
5-(Hydroxyamino)-2-methyl-5-oxopentanoic acid
CID 91381122
Methyl 5-(hydroxyamino)-2,2,4,4-tetramethyl-5-oxopentanoate
CID 117997496
methyl (2S)-5-amino-2-methyl-5-oxopentanoate
CID 148307104
methyl (4S)-5-amino-4-methyl-5-oxopentanoate
CID 154957554
5-(Methoxyamino)-3-methyl-5-oxopentanoic acid
CID 64974176
Methyl 4-(methoxycarbamoyl)butanoate
CID 132505788
Methyl 3-(hydroxycarbamoyl)bicyclo[1.1.1]pentane-1-carboxylate
CID 177794053

Frequently Asked Questions

What is the IUPAC name of methyl 3-(hydroxycarbamoyl)cyclobutane-1-carboxylate?
The IUPAC name of methyl 3-(hydroxycarbamoyl)cyclobutane-1-carboxylate (CID 130678698) is methyl 3-(hydroxycarbamoyl)cyclobutane-1-carboxylate.
What is the SMILES notation for methyl 3-(hydroxycarbamoyl)cyclobutane-1-carboxylate?
The canonical SMILES for methyl 3-(hydroxycarbamoyl)cyclobutane-1-carboxylate is COC(=O)C1CC(C(=O)NO)C1.
What is the InChIKey of methyl 3-(hydroxycarbamoyl)cyclobutane-1-carboxylate?
The InChIKey is FPGQMKAPYOZBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c1-12-7(10)5-2-4(3-5)6(9)8-11/h4-5,11H,2-3H2,1H3,(H,8,9).
What are the key properties of methyl 3-(hydroxycarbamoyl)cyclobutane-1-carboxylate?
methyl 3-(hydroxycarbamoyl)cyclobutane-1-carboxylate has a molecular weight of 173.17 g/mol, XLogP of -0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(hydroxycarbamoyl)cyclobutane-1-carboxylate is sourced from PubChem (CID 130678698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).