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

C13H16N2O3 — CID 64813919

IUPAC2-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(Cc1cccnc1)NC1CCCC1C(=O)O
InChIInChI=1S/C13H16N2O3/c16-12(7-9-3-2-6-14-8-9)15-11-5-1-4-10(11)13(17)18/h2-3,6,8,10-11H,1,4-5,7H2,(H,15,16)(H,17,18)
InChIKeyDYQBKOMBZZZFBO-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.99
Rot. Bonds4

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

2-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 64813919) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxylic acid
PubChem CID64813919
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(Cc1cccnc1)NC1CCCC1C(=O)O
InChIInChI=1S/C13H16N2O3/c16-12(7-9-3-2-6-14-8-9)15-11-5-1-4-10(11)13(17)18/h2-3,6,8,10-11H,1,4-5,7H2,(H,15,16)(H,17,18)
InChIKeyDYQBKOMBZZZFBO-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

2-(3-pyridin-3-ylpropanoylamino)cyclopentane-1-carboxamide
CID 71989741
2-(2-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 64817875
N-(2-aminocycloheptyl)-2-pyridin-3-ylacetamide
CID 55169173
3-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxylic acid
CID 66032903
4-[(2-pyridin-3-ylacetyl)amino]cyclohexane-1-carboxylic acid
CID 62689674
2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylic acid
CID 75356428
trans-(1R,2R)-2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylic acid
CID 97161380
N'-[(1R,2R)-2-methylcyclohexyl]-N-(pyridin-3-ylmethyl)oxamide
CID 124605662
2-[[2-(3-chlorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 64813756
trans-(1S,2S)-2-[5-[4-[(2-pyridin-3-ylacetyl)amino]phenyl]pyridine-2-carbonyl]cyclopentane-1-carboxylic acid
CID 69243385
CID 66868100
CID 66868100
2-[[2-[2-(aminomethyl)phenyl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 81322034

Frequently Asked Questions

What is the IUPAC name of 2-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxylic acid (CID 64813919) is 2-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxylic acid is O=C(Cc1cccnc1)NC1CCCC1C(=O)O.
What is the InChIKey of 2-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is DYQBKOMBZZZFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c16-12(7-9-3-2-6-14-8-9)15-11-5-1-4-10(11)13(17)18/h2-3,6,8,10-11H,1,4-5,7H2,(H,15,16)(H,17,18).
What are the key properties of 2-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxylic acid?
2-[(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 2-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64813919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).