1-[amino-(1-methylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxylic acid

C11H20N2O2 — CID 116944135

IUPAC1-[amino-(1-methylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxylic acid
SMILESCN1CCC(C(N)C2(C(=O)O)CCC2)C1
InChIInChI=1S/C11H20N2O2/c1-13-6-3-8(7-13)9(12)11(10(14)15)4-2-5-11/h8-9H,2-7,12H2,1H3,(H,14,15)
InChIKeyKGLANFPIKWIQHD-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.52
Rot. Bonds3

About 1-[amino-(1-methylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxylic acid

1-[amino-(1-methylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxylic acid (PubChem CID 116944135) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-[amino-(1-methylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[amino-(1-methylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxylic acid
PubChem CID116944135
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-[amino-(1-methylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxylic acid
SMILESCN1CCC(C(N)C2(C(=O)O)CCC2)C1
InChIInChI=1S/C11H20N2O2/c1-13-6-3-8(7-13)9(12)11(10(14)15)4-2-5-11/h8-9H,2-7,12H2,1H3,(H,14,15)
InChIKeyKGLANFPIKWIQHD-UHFFFAOYSA-N
XLogP0.52
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[amino(cyclohexyl)methyl]cyclobutane-1-carboxylic acid
CID 116944127
1-[methylamino-(1-methylpiperidin-4-yl)methyl]cyclobutane-1-carboxylic acid
CID 116958981
1-[dimethylamino-(1-methylpiperidin-3-yl)methyl]cyclobutane-1-carboxylic acid
CID 116912640
[1-(aminomethyl)cyclobutyl]-(1-methylpyrrolidin-3-yl)methanamine
CID 116943914
1-[amino(cyclohexyl)methyl]cyclopropane-1-carboxylic acid
CID 115021116
3-[dimethylamino-(1-methylpiperidin-3-yl)methyl]oxetane-3-carboxylic acid
CID 116912908
3-amino-2-methyl-3-(1-methylpiperidin-4-yl)propanoic acid
CID 116938112
3-[methylamino-(1-methylpiperidin-4-yl)methyl]oxetane-3-carboxylic acid
CID 116959390
1-[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]cyclobutane-1-carboxylic acid
CID 116874999
2-methyl-1-(1-methylpyrrolidin-3-yl)prop-2-en-1-amine
CID 164659550
3-amino-4-(dimethylamino)-4-(1-methylpyrrolidin-3-yl)butanoic acid
CID 116911919
3-amino-N,N-dimethyl-3-(1-methylpyrrolidin-3-yl)propanamide
CID 116850366

Frequently Asked Questions

What is the IUPAC name of 1-[amino-(1-methylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[amino-(1-methylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxylic acid (CID 116944135) is 1-[amino-(1-methylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[amino-(1-methylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[amino-(1-methylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxylic acid is CN1CCC(C(N)C2(C(=O)O)CCC2)C1.
What is the InChIKey of 1-[amino-(1-methylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxylic acid?
The InChIKey is KGLANFPIKWIQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-13-6-3-8(7-13)9(12)11(10(14)15)4-2-5-11/h8-9H,2-7,12H2,1H3,(H,14,15).
What are the key properties of 1-[amino-(1-methylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxylic acid?
1-[amino-(1-methylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxylic acid has a molecular weight of 212.29 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-(1-methylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 116944135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).