4-[(1R)-1-aminopropyl]pyridine-2-carboxylic acid

C9H12N2O2 — CID 55293398

IUPAC4-[(1R)-1-aminopropyl]pyridine-2-carboxylic acid
SMILESCC[C@@H](N)c1ccnc(C(=O)O)c1
InChIInChI=1S/C9H12N2O2/c1-2-7(10)6-3-4-11-8(5-6)9(12)13/h3-5,7H,2,10H2,1H3,(H,12,13)/t7-/m1/s1
InChIKeyCJXDDLWBUPAENG-SSDOTTSWSA-N
MW180.21 g/mol
LogP1.19
Rot. Bonds3

About 4-[(1R)-1-aminopropyl]pyridine-2-carboxylic acid

4-[(1R)-1-aminopropyl]pyridine-2-carboxylic acid (PubChem CID 55293398) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 4-[(1R)-1-aminopropyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(1R)-1-aminopropyl]pyridine-2-carboxylic acid
PubChem CID55293398
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name4-[(1R)-1-aminopropyl]pyridine-2-carboxylic acid
SMILESCC[C@@H](N)c1ccnc(C(=O)O)c1
InChIInChI=1S/C9H12N2O2/c1-2-7(10)6-3-4-11-8(5-6)9(12)13/h3-5,7H,2,10H2,1H3,(H,12,13)/t7-/m1/s1
InChIKeyCJXDDLWBUPAENG-SSDOTTSWSA-N
XLogP1.19
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-aminopropyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[(1R)-1-aminopropyl]pyridine-2-carboxylic acid (CID 55293398) is 4-[(1R)-1-aminopropyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[(1R)-1-aminopropyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[(1R)-1-aminopropyl]pyridine-2-carboxylic acid is CC[C@@H](N)c1ccnc(C(=O)O)c1.
What is the InChIKey of 4-[(1R)-1-aminopropyl]pyridine-2-carboxylic acid?
The InChIKey is CJXDDLWBUPAENG-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-2-7(10)6-3-4-11-8(5-6)9(12)13/h3-5,7H,2,10H2,1H3,(H,12,13)/t7-/m1/s1.
What are the key properties of 4-[(1R)-1-aminopropyl]pyridine-2-carboxylic acid?
4-[(1R)-1-aminopropyl]pyridine-2-carboxylic acid has a molecular weight of 180.21 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-aminopropyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 55293398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).