4-(cyclobutanecarbonylamino)cyclohexane-1-carboxylic acid

C12H19NO3 — CID 60808210

IUPAC4-(cyclobutanecarbonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)C2CCC2)CC1
InChIInChI=1S/C12H19NO3/c14-11(8-2-1-3-8)13-10-6-4-9(5-7-10)12(15)16/h8-10H,1-7H2,(H,13,14)(H,15,16)
InChIKeyHSXJQOSGAJEEIW-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.55
Rot. Bonds3

About 4-(cyclobutanecarbonylamino)cyclohexane-1-carboxylic acid

4-(cyclobutanecarbonylamino)cyclohexane-1-carboxylic acid (PubChem CID 60808210) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-(cyclobutanecarbonylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(cyclobutanecarbonylamino)cyclohexane-1-carboxylic acid
PubChem CID60808210
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name4-(cyclobutanecarbonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)C2CCC2)CC1
InChIInChI=1S/C12H19NO3/c14-11(8-2-1-3-8)13-10-6-4-9(5-7-10)12(15)16/h8-10H,1-7H2,(H,13,14)(H,15,16)
InChIKeyHSXJQOSGAJEEIW-UHFFFAOYSA-N
XLogP1.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutanecarbonylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(cyclobutanecarbonylamino)cyclohexane-1-carboxylic acid (CID 60808210) is 4-(cyclobutanecarbonylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(cyclobutanecarbonylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(cyclobutanecarbonylamino)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(NC(=O)C2CCC2)CC1.
What is the InChIKey of 4-(cyclobutanecarbonylamino)cyclohexane-1-carboxylic acid?
The InChIKey is HSXJQOSGAJEEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c14-11(8-2-1-3-8)13-10-6-4-9(5-7-10)12(15)16/h8-10H,1-7H2,(H,13,14)(H,15,16).
What are the key properties of 4-(cyclobutanecarbonylamino)cyclohexane-1-carboxylic acid?
4-(cyclobutanecarbonylamino)cyclohexane-1-carboxylic acid has a molecular weight of 225.29 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutanecarbonylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60808210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).