1-[amino(cyclohexyl)methyl]cyclobutane-1-carboxylic acid

C12H21NO2 — CID 116944127

IUPAC1-[amino(cyclohexyl)methyl]cyclobutane-1-carboxylic acid
SMILESNC(C1CCCCC1)C1(C(=O)O)CCC1
InChIInChI=1S/C12H21NO2/c13-10(9-5-2-1-3-6-9)12(11(14)15)7-4-8-12/h9-10H,1-8,13H2,(H,14,15)
InChIKeyIHJAIRXTNDGOQF-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.15
Rot. Bonds3

About 1-[amino(cyclohexyl)methyl]cyclobutane-1-carboxylic acid

1-[amino(cyclohexyl)methyl]cyclobutane-1-carboxylic acid (PubChem CID 116944127) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-[amino(cyclohexyl)methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[amino(cyclohexyl)methyl]cyclobutane-1-carboxylic acid
PubChem CID116944127
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name1-[amino(cyclohexyl)methyl]cyclobutane-1-carboxylic acid
SMILESNC(C1CCCCC1)C1(C(=O)O)CCC1
InChIInChI=1S/C12H21NO2/c13-10(9-5-2-1-3-6-9)12(11(14)15)7-4-8-12/h9-10H,1-8,13H2,(H,14,15)
InChIKeyIHJAIRXTNDGOQF-UHFFFAOYSA-N
XLogP2.15
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[amino(cyclohexyl)methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[amino(cyclohexyl)methyl]cyclobutane-1-carboxylic acid (CID 116944127) is 1-[amino(cyclohexyl)methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[amino(cyclohexyl)methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[amino(cyclohexyl)methyl]cyclobutane-1-carboxylic acid is NC(C1CCCCC1)C1(C(=O)O)CCC1.
What is the InChIKey of 1-[amino(cyclohexyl)methyl]cyclobutane-1-carboxylic acid?
The InChIKey is IHJAIRXTNDGOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c13-10(9-5-2-1-3-6-9)12(11(14)15)7-4-8-12/h9-10H,1-8,13H2,(H,14,15).
What are the key properties of 1-[amino(cyclohexyl)methyl]cyclobutane-1-carboxylic acid?
1-[amino(cyclohexyl)methyl]cyclobutane-1-carboxylic acid has a molecular weight of 211.30 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino(cyclohexyl)methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 116944127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).