6-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]-methylamino]pyridine-3-carboxylic acid

C16H18N2O3 — CID 164629516

IUPAC6-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]-methylamino]pyridine-3-carboxylic acid
SMILESCN(c1ccc(C(=O)O)cn1)[C@H](CO)Cc1ccccc1
InChIInChI=1S/C16H18N2O3/c1-18(15-8-7-13(10-17-15)16(20)21)14(11-19)9-12-5-3-2-4-6-12/h2-8,10,14,19H,9,11H2,1H3,(H,20,21)/t14-/m0/s1
InChIKeyDSIXRTDNKZOEJH-AWEZNQCLSA-N
MW286.33 g/mol
LogP1.82
Rot. Bonds6

About 6-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]-methylamino]pyridine-3-carboxylic acid

6-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]-methylamino]pyridine-3-carboxylic acid (PubChem CID 164629516) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 6-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]-methylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]-methylamino]pyridine-3-carboxylic acid
PubChem CID164629516
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name6-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]-methylamino]pyridine-3-carboxylic acid
SMILESCN(c1ccc(C(=O)O)cn1)[C@H](CO)Cc1ccccc1
InChIInChI=1S/C16H18N2O3/c1-18(15-8-7-13(10-17-15)16(20)21)14(11-19)9-12-5-3-2-4-6-12/h2-8,10,14,19H,9,11H2,1H3,(H,20,21)/t14-/m0/s1
InChIKeyDSIXRTDNKZOEJH-AWEZNQCLSA-N
XLogP1.82
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]-methylamino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]-methylamino]pyridine-3-carboxylic acid (CID 164629516) is 6-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]-methylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]-methylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]-methylamino]pyridine-3-carboxylic acid is CN(c1ccc(C(=O)O)cn1)[C@H](CO)Cc1ccccc1.
What is the InChIKey of 6-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]-methylamino]pyridine-3-carboxylic acid?
The InChIKey is DSIXRTDNKZOEJH-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-18(15-8-7-13(10-17-15)16(20)21)14(11-19)9-12-5-3-2-4-6-12/h2-8,10,14,19H,9,11H2,1H3,(H,20,21)/t14-/m0/s1.
What are the key properties of 6-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]-methylamino]pyridine-3-carboxylic acid?
6-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]-methylamino]pyridine-3-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]-methylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 164629516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).