2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid

C12H16N2O3 — CID 106361785

IUPAC2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1NC1CCCC1CO
InChIInChI=1S/C12H16N2O3/c15-7-8-3-1-5-10(8)14-11-9(12(16)17)4-2-6-13-11/h2,4,6,8,10,15H,1,3,5,7H2,(H,13,14)(H,16,17)
InChIKeyCJQNVJOCPXAAHT-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.35
Rot. Bonds4

About 2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid

2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid (PubChem CID 106361785) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid
PubChem CID106361785
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1NC1CCCC1CO
InChIInChI=1S/C12H16N2O3/c15-7-8-3-1-5-10(8)14-11-9(12(16)17)4-2-6-13-11/h2,4,6,8,10,15H,1,3,5,7H2,(H,13,14)(H,16,17)
InChIKeyCJQNVJOCPXAAHT-UHFFFAOYSA-N
XLogP1.35
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid (CID 106361785) is 2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid is O=C(O)c1cccnc1NC1CCCC1CO.
What is the InChIKey of 2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid?
The InChIKey is CJQNVJOCPXAAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c15-7-8-3-1-5-10(8)14-11-9(12(16)17)4-2-6-13-11/h2,4,6,8,10,15H,1,3,5,7H2,(H,13,14)(H,16,17).
What are the key properties of 2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid?
2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 1.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 106361785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).