1-(2-methylpentylamino)cyclobutane-1-carboxylic acid

C11H21NO2 — CID 81167550

IUPAC1-(2-methylpentylamino)cyclobutane-1-carboxylic acid
SMILESCCCC(C)CNC1(C(=O)O)CCC1
InChIInChI=1S/C11H21NO2/c1-3-5-9(2)8-12-11(10(13)14)6-4-7-11/h9,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyFMLKNGJILCCSSK-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.02
Rot. Bonds6

About 1-(2-methylpentylamino)cyclobutane-1-carboxylic acid

1-(2-methylpentylamino)cyclobutane-1-carboxylic acid (PubChem CID 81167550) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-(2-methylpentylamino)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylpentylamino)cyclobutane-1-carboxylic acid
PubChem CID81167550
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-(2-methylpentylamino)cyclobutane-1-carboxylic acid
SMILESCCCC(C)CNC1(C(=O)O)CCC1
InChIInChI=1S/C11H21NO2/c1-3-5-9(2)8-12-11(10(13)14)6-4-7-11/h9,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyFMLKNGJILCCSSK-UHFFFAOYSA-N
XLogP2.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpentylamino)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(2-methylpentylamino)cyclobutane-1-carboxylic acid (CID 81167550) is 1-(2-methylpentylamino)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(2-methylpentylamino)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(2-methylpentylamino)cyclobutane-1-carboxylic acid is CCCC(C)CNC1(C(=O)O)CCC1.
What is the InChIKey of 1-(2-methylpentylamino)cyclobutane-1-carboxylic acid?
The InChIKey is FMLKNGJILCCSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-5-9(2)8-12-11(10(13)14)6-4-7-11/h9,12H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 1-(2-methylpentylamino)cyclobutane-1-carboxylic acid?
1-(2-methylpentylamino)cyclobutane-1-carboxylic acid has a molecular weight of 199.29 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpentylamino)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81167550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).