3-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxylic acid

C13H16N2O3 — CID 66032903

IUPAC3-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(Cc1cccnc1)NC1CCC(C(=O)O)C1
InChIInChI=1S/C13H16N2O3/c16-12(6-9-2-1-5-14-8-9)15-11-4-3-10(7-11)13(17)18/h1-2,5,8,10-11H,3-4,6-7H2,(H,15,16)(H,17,18)
InChIKeyFEBVZBTVJACCNS-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.99
Rot. Bonds4

About 3-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxylic acid

3-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 66032903) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxylic acid
PubChem CID66032903
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name3-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(Cc1cccnc1)NC1CCC(C(=O)O)C1
InChIInChI=1S/C13H16N2O3/c16-12(6-9-2-1-5-14-8-9)15-11-4-3-10(7-11)13(17)18/h1-2,5,8,10-11H,3-4,6-7H2,(H,15,16)(H,17,18)
InChIKeyFEBVZBTVJACCNS-UHFFFAOYSA-N
XLogP0.99
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-pyridin-3-ylacetyl)amino]cyclohexane-1-carboxylic acid
CID 62689674
cis-(1R,3S)-3-(pyridin-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106324252
2-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxylic acid
CID 64813919
N-[4-(2-hydroxyethyl)cyclohexyl]-2-pyridin-3-ylacetamide
CID 116817232
N-cyclopropyl-2-[4-[(2-pyridin-3-ylacetyl)amino]phenyl]acetamide
CID 131905029
4-(2-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61204419
3-(1-pyridin-3-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66030232
cis-(1R,3S)-3-[3-[(2-phenylacetyl)amino]propanoylamino]cyclopentane-1-carboxylic acid
CID 120678404
cis-(1S,3R)-3-[(2-quinolin-8-ylacetyl)amino]cyclopentane-1-carboxylic acid
CID 120674754
4-(pyridin-3-ylmethyl)cyclohexane-1-carboxylic acid
CID 83822125
N-piperidin-3-yl-2-pyridin-3-ylacetamide
CID 63321155
N-(6-oxopiperidin-3-yl)-2-pyridin-3-ylacetamide
CID 63661195

Frequently Asked Questions

What is the IUPAC name of 3-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxylic acid (CID 66032903) is 3-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxylic acid is O=C(Cc1cccnc1)NC1CCC(C(=O)O)C1.
What is the InChIKey of 3-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is FEBVZBTVJACCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c16-12(6-9-2-1-5-14-8-9)15-11-4-3-10(7-11)13(17)18/h1-2,5,8,10-11H,3-4,6-7H2,(H,15,16)(H,17,18).
What are the key properties of 3-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxylic acid?
3-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 248.28 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66032903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).