2-(2-pyrrolidin-1-ylethylamino)cyclobutane-1-carboxylic acid

C11H20N2O2 — CID 103248849

IUPAC2-(2-pyrrolidin-1-ylethylamino)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1NCCN1CCCC1
InChIInChI=1S/C11H20N2O2/c14-11(15)9-3-4-10(9)12-5-8-13-6-1-2-7-13/h9-10,12H,1-8H2,(H,14,15)
InChIKeyNYNYUVZKODTLTG-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.54
Rot. Bonds5

About 2-(2-pyrrolidin-1-ylethylamino)cyclobutane-1-carboxylic acid

2-(2-pyrrolidin-1-ylethylamino)cyclobutane-1-carboxylic acid (PubChem CID 103248849) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-(2-pyrrolidin-1-ylethylamino)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-pyrrolidin-1-ylethylamino)cyclobutane-1-carboxylic acid
PubChem CID103248849
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-(2-pyrrolidin-1-ylethylamino)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1NCCN1CCCC1
InChIInChI=1S/C11H20N2O2/c14-11(15)9-3-4-10(9)12-5-8-13-6-1-2-7-13/h9-10,12H,1-8H2,(H,14,15)
InChIKeyNYNYUVZKODTLTG-UHFFFAOYSA-N
XLogP0.54
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-morpholin-4-ylethylamino)cyclobutane-1-carboxylic acid
CID 103235780
2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]cyclobutane-1-carboxylic acid
CID 103262606
2-(2-fluoroethylamino)cyclobutane-1-carboxylic acid
CID 130504698
2-(propylamino)cyclobutane-1-carboxylic acid
CID 103235108
3-(2-pyrrolidin-1-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66030259
2-(3-cyclopentylpropylamino)cyclobutane-1-carboxylic acid
CID 106004248
trans-(1R,2R)-2-methyl-N-(2-piperidin-1-ylethyl)cyclopentan-1-amine
CID 96923223
2-(1-piperidin-1-ylpropan-2-ylamino)cyclobutane-1-carboxylic acid
CID 103247689
2-[2-(cyclopenten-1-yl)ethylamino]cyclobutane-1-carboxylic acid
CID 106178034
2-[(3-methoxy-3-oxopropyl)amino]cyclobutane-1-carboxylic acid
CID 103240382
N-(2-pyrrolidin-1-ylethyl)cyclopropanamine
CID 54773109
2-(3-pyrrolidin-1-ylpropylcarbamoyl)cyclohexane-1-carboxylic acid
CID 43579840

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrrolidin-1-ylethylamino)cyclobutane-1-carboxylic acid?
The IUPAC name of 2-(2-pyrrolidin-1-ylethylamino)cyclobutane-1-carboxylic acid (CID 103248849) is 2-(2-pyrrolidin-1-ylethylamino)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-(2-pyrrolidin-1-ylethylamino)cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-(2-pyrrolidin-1-ylethylamino)cyclobutane-1-carboxylic acid is O=C(O)C1CCC1NCCN1CCCC1.
What is the InChIKey of 2-(2-pyrrolidin-1-ylethylamino)cyclobutane-1-carboxylic acid?
The InChIKey is NYNYUVZKODTLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c14-11(15)9-3-4-10(9)12-5-8-13-6-1-2-7-13/h9-10,12H,1-8H2,(H,14,15).
What are the key properties of 2-(2-pyrrolidin-1-ylethylamino)cyclobutane-1-carboxylic acid?
2-(2-pyrrolidin-1-ylethylamino)cyclobutane-1-carboxylic acid has a molecular weight of 212.29 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrrolidin-1-ylethylamino)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 103248849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).