(1-methyl-3-oxocyclobutyl)carbamic acid

C6H9NO3 — CID 89457346

IUPAC(1-methyl-3-oxocyclobutyl)carbamic acid
SMILESCC1(NC(=O)O)CC(=O)C1
InChIInChI=1S/C6H9NO3/c1-6(7-5(9)10)2-4(8)3-6/h7H,2-3H2,1H3,(H,9,10)
InChIKeyDZVZCXCHRBHVQE-UHFFFAOYSA-N
MW143.14 g/mol
LogP0.38
Rot. Bonds1

About (1-methyl-3-oxocyclobutyl)carbamic acid

(1-methyl-3-oxocyclobutyl)carbamic acid (PubChem CID 89457346) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is (1-methyl-3-oxocyclobutyl)carbamic acid.

Molecular Properties

Compound Name(1-methyl-3-oxocyclobutyl)carbamic acid
PubChem CID89457346
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name(1-methyl-3-oxocyclobutyl)carbamic acid
SMILESCC1(NC(=O)O)CC(=O)C1
InChIInChI=1S/C6H9NO3/c1-6(7-5(9)10)2-4(8)3-6/h7H,2-3H2,1H3,(H,9,10)
InChIKeyDZVZCXCHRBHVQE-UHFFFAOYSA-N
XLogP0.38
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-3-oxocyclobutyl)carbamic acid?
The IUPAC name of (1-methyl-3-oxocyclobutyl)carbamic acid (CID 89457346) is (1-methyl-3-oxocyclobutyl)carbamic acid.
What is the SMILES notation for (1-methyl-3-oxocyclobutyl)carbamic acid?
The canonical SMILES for (1-methyl-3-oxocyclobutyl)carbamic acid is CC1(NC(=O)O)CC(=O)C1.
What is the InChIKey of (1-methyl-3-oxocyclobutyl)carbamic acid?
The InChIKey is DZVZCXCHRBHVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c1-6(7-5(9)10)2-4(8)3-6/h7H,2-3H2,1H3,(H,9,10).
What are the key properties of (1-methyl-3-oxocyclobutyl)carbamic acid?
(1-methyl-3-oxocyclobutyl)carbamic acid has a molecular weight of 143.14 g/mol, XLogP of 0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-3-oxocyclobutyl)carbamic acid is sourced from PubChem (CID 89457346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).