1-(dimethylamino)-3-propan-2-ylcyclobutane-1-carboxylic acid

C10H19NO2 — CID 103564719

IUPAC1-(dimethylamino)-3-propan-2-ylcyclobutane-1-carboxylic acid
SMILESCC(C)C1CC(C(=O)O)(N(C)C)C1
InChIInChI=1S/C10H19NO2/c1-7(2)8-5-10(6-8,9(12)13)11(3)4/h7-8H,5-6H2,1-4H3,(H,12,13)
InChIKeyGPHSQQRCVLUIFD-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.44
Rot. Bonds3

About 1-(dimethylamino)-3-propan-2-ylcyclobutane-1-carboxylic acid

1-(dimethylamino)-3-propan-2-ylcyclobutane-1-carboxylic acid (PubChem CID 103564719) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(dimethylamino)-3-propan-2-ylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(dimethylamino)-3-propan-2-ylcyclobutane-1-carboxylic acid
PubChem CID103564719
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-(dimethylamino)-3-propan-2-ylcyclobutane-1-carboxylic acid
SMILESCC(C)C1CC(C(=O)O)(N(C)C)C1
InChIInChI=1S/C10H19NO2/c1-7(2)8-5-10(6-8,9(12)13)11(3)4/h7-8H,5-6H2,1-4H3,(H,12,13)
InChIKeyGPHSQQRCVLUIFD-UHFFFAOYSA-N
XLogP1.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-propan-2-ylcyclobutane-1-carboxylic acid?
The IUPAC name of 1-(dimethylamino)-3-propan-2-ylcyclobutane-1-carboxylic acid (CID 103564719) is 1-(dimethylamino)-3-propan-2-ylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(dimethylamino)-3-propan-2-ylcyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(dimethylamino)-3-propan-2-ylcyclobutane-1-carboxylic acid is CC(C)C1CC(C(=O)O)(N(C)C)C1.
What is the InChIKey of 1-(dimethylamino)-3-propan-2-ylcyclobutane-1-carboxylic acid?
The InChIKey is GPHSQQRCVLUIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7(2)8-5-10(6-8,9(12)13)11(3)4/h7-8H,5-6H2,1-4H3,(H,12,13).
What are the key properties of 1-(dimethylamino)-3-propan-2-ylcyclobutane-1-carboxylic acid?
1-(dimethylamino)-3-propan-2-ylcyclobutane-1-carboxylic acid has a molecular weight of 185.27 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-propan-2-ylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 103564719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).