1-(dimethylaminocarbamoyl)cyclobutane-1-carboxylic acid

C8H14N2O3 — CID 83022682

IUPAC1-(dimethylaminocarbamoyl)cyclobutane-1-carboxylic acid
SMILESCN(C)NC(=O)C1(C(=O)O)CCC1
InChIInChI=1S/C8H14N2O3/c1-10(2)9-6(11)8(7(12)13)4-3-5-8/h3-5H2,1-2H3,(H,9,11)(H,12,13)
InChIKeyQERGRHRZJBHMCN-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.17
Rot. Bonds3

About 1-(dimethylaminocarbamoyl)cyclobutane-1-carboxylic acid

1-(dimethylaminocarbamoyl)cyclobutane-1-carboxylic acid (PubChem CID 83022682) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 1-(dimethylaminocarbamoyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(dimethylaminocarbamoyl)cyclobutane-1-carboxylic acid
PubChem CID83022682
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name1-(dimethylaminocarbamoyl)cyclobutane-1-carboxylic acid
SMILESCN(C)NC(=O)C1(C(=O)O)CCC1
InChIInChI=1S/C8H14N2O3/c1-10(2)9-6(11)8(7(12)13)4-3-5-8/h3-5H2,1-2H3,(H,9,11)(H,12,13)
InChIKeyQERGRHRZJBHMCN-UHFFFAOYSA-N
XLogP-0.17
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylaminocarbamoyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(dimethylaminocarbamoyl)cyclobutane-1-carboxylic acid (CID 83022682) is 1-(dimethylaminocarbamoyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(dimethylaminocarbamoyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(dimethylaminocarbamoyl)cyclobutane-1-carboxylic acid is CN(C)NC(=O)C1(C(=O)O)CCC1.
What is the InChIKey of 1-(dimethylaminocarbamoyl)cyclobutane-1-carboxylic acid?
The InChIKey is QERGRHRZJBHMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-10(2)9-6(11)8(7(12)13)4-3-5-8/h3-5H2,1-2H3,(H,9,11)(H,12,13).
What are the key properties of 1-(dimethylaminocarbamoyl)cyclobutane-1-carboxylic acid?
1-(dimethylaminocarbamoyl)cyclobutane-1-carboxylic acid has a molecular weight of 186.21 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylaminocarbamoyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 83022682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).