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

C12H16N2O2 — CID 81166918

IUPAC1-(2-pyridin-2-ylethylamino)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(NCCc2ccccn2)CCC1
InChIInChI=1S/C12H16N2O2/c15-11(16)12(6-3-7-12)14-9-5-10-4-1-2-8-13-10/h1-2,4,8,14H,3,5-7,9H2,(H,15,16)
InChIKeyNZSWZUDULXCDHF-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.22
Rot. Bonds5

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

1-(2-pyridin-2-ylethylamino)cyclobutane-1-carboxylic acid (PubChem CID 81166918) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-(2-pyridin-2-ylethylamino)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-pyridin-2-ylethylamino)cyclobutane-1-carboxylic acid
PubChem CID81166918
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-(2-pyridin-2-ylethylamino)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(NCCc2ccccn2)CCC1
InChIInChI=1S/C12H16N2O2/c15-11(16)12(6-3-7-12)14-9-5-10-4-1-2-8-13-10/h1-2,4,8,14H,3,5-7,9H2,(H,15,16)
InChIKeyNZSWZUDULXCDHF-UHFFFAOYSA-N
XLogP1.22
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(pyridin-2-ylmethylamino)cyclopentane-1-carboxylic acid
CID 71565011
1-[(2-pyridin-2-ylethylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
CID 115446334
1-(pyridin-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 16783827
1-(2-pyridin-2-ylethyl)cyclopentane-1-carboxylic acid
CID 79424921
3-(2-pyridin-2-ylethylamino)propanoic acid
CID 28830364
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyridin-2-ylethyl)urea
CID 111573294
1-amino-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 24704991
4-methyl-1-(2-pyridin-2-ylethylcarbamoyl)piperidine-4-carboxylic acid
CID 63123409
2-(2-pyridin-2-ylethylamino)oxyacetamide
CID 112673979
4-fluoro-4-[(2-pyridin-2-ylethylamino)methyl]piperidine-1-carbaldehyde
CID 18427830
2-pyridin-2-ylethylcarbamothioic S-acid
CID 87074091
2-[1-(methylamino)cyclohexyl]-N-(2-pyridin-2-ylethyl)acetamide
CID 65240965

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-2-ylethylamino)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(2-pyridin-2-ylethylamino)cyclobutane-1-carboxylic acid (CID 81166918) is 1-(2-pyridin-2-ylethylamino)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(2-pyridin-2-ylethylamino)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(2-pyridin-2-ylethylamino)cyclobutane-1-carboxylic acid is O=C(O)C1(NCCc2ccccn2)CCC1.
What is the InChIKey of 1-(2-pyridin-2-ylethylamino)cyclobutane-1-carboxylic acid?
The InChIKey is NZSWZUDULXCDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c15-11(16)12(6-3-7-12)14-9-5-10-4-1-2-8-13-10/h1-2,4,8,14H,3,5-7,9H2,(H,15,16).
What are the key properties of 1-(2-pyridin-2-ylethylamino)cyclobutane-1-carboxylic acid?
1-(2-pyridin-2-ylethylamino)cyclobutane-1-carboxylic acid has a molecular weight of 220.27 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-2-ylethylamino)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81166918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).