2-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid

C14H21N3O2 — CID 72842704

IUPAC2-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid
SMILESCCC[C@H]1CN(c2nc(C)ccc2C(=O)O)C[C@@H]1N
InChIInChI=1S/C14H21N3O2/c1-3-4-10-7-17(8-12(10)15)13-11(14(18)19)6-5-9(2)16-13/h5-6,10,12H,3-4,7-8,15H2,1-2H3,(H,18,19)/t10-,12-/m0/s1
InChIKeyWZMTUIUYFPULTA-JQWIXIFHSA-N
MW263.34 g/mol
LogP1.65
Rot. Bonds4

About 2-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid

2-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid (PubChem CID 72842704) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid
PubChem CID72842704
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid
SMILESCCC[C@H]1CN(c2nc(C)ccc2C(=O)O)C[C@@H]1N
InChIInChI=1S/C14H21N3O2/c1-3-4-10-7-17(8-12(10)15)13-11(14(18)19)6-5-9(2)16-13/h5-6,10,12H,3-4,7-8,15H2,1-2H3,(H,18,19)/t10-,12-/m0/s1
InChIKeyWZMTUIUYFPULTA-JQWIXIFHSA-N
XLogP1.65
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 2-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid (CID 72842704) is 2-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 2-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid is CCC[C@H]1CN(c2nc(C)ccc2C(=O)O)C[C@@H]1N.
What is the InChIKey of 2-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid?
The InChIKey is WZMTUIUYFPULTA-JQWIXIFHSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-4-10-7-17(8-12(10)15)13-11(14(18)19)6-5-9(2)16-13/h5-6,10,12H,3-4,7-8,15H2,1-2H3,(H,18,19)/t10-,12-/m0/s1.
What are the key properties of 2-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid?
2-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 72842704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).