6-[[(1R,2S)-2-propan-2-ylcyclopropyl]methylamino]pyridine-2-carboxylic acid

C13H18N2O2 — CID 122057986

IUPAC6-[[(1R,2S)-2-propan-2-ylcyclopropyl]methylamino]pyridine-2-carboxylic acid
SMILESCC(C)[C@@H]1C[C@H]1CNc1cccc(C(=O)O)n1
InChIInChI=1S/C13H18N2O2/c1-8(2)10-6-9(10)7-14-12-5-3-4-11(15-12)13(16)17/h3-5,8-10H,6-7H2,1-2H3,(H,14,15)(H,16,17)/t9-,10-/m0/s1
InChIKeyDSVZOWPTQCBLFC-UWVGGRQHSA-N
MW234.30 g/mol
LogP2.48
Rot. Bonds5

About 6-[[(1R,2S)-2-propan-2-ylcyclopropyl]methylamino]pyridine-2-carboxylic acid

6-[[(1R,2S)-2-propan-2-ylcyclopropyl]methylamino]pyridine-2-carboxylic acid (PubChem CID 122057986) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 6-[[(1R,2S)-2-propan-2-ylcyclopropyl]methylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[(1R,2S)-2-propan-2-ylcyclopropyl]methylamino]pyridine-2-carboxylic acid
PubChem CID122057986
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name6-[[(1R,2S)-2-propan-2-ylcyclopropyl]methylamino]pyridine-2-carboxylic acid
SMILESCC(C)[C@@H]1C[C@H]1CNc1cccc(C(=O)O)n1
InChIInChI=1S/C13H18N2O2/c1-8(2)10-6-9(10)7-14-12-5-3-4-11(15-12)13(16)17/h3-5,8-10H,6-7H2,1-2H3,(H,14,15)(H,16,17)/t9-,10-/m0/s1
InChIKeyDSVZOWPTQCBLFC-UWVGGRQHSA-N
XLogP2.48
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-Acetamidopicolinic acid
CID 824640
6-Aminopyridine-2-carboxylic acid
CID 351652
5,6,7,8-Tetrahydro-1,8-naphthyridine-2-carboxylic acid
CID 51358533
US10513493, Example 20
CID 118301993
6-(Prop-2-enamido)pyridine-2-carboxylic acid
CID 63642220
6-(Morpholin-4-yl)pyridine-2-carboxylic acid
CID 2388921
US10513493, Example 24
CID 118301996
US10513493, Example 26
CID 118302022
6-(((Tert-butoxy)carbonyl)amino)pyridine-2-carboxylic acid
CID 22726931
6-(Dimethylamino)picolinic acid
CID 53408411
6-(4-Methylpiperazin-1-yl)pyridine-2-carboxylicacidhydrochloride
CID 57444906
6-(Methylamino)pyridine-2-carboxylic acid
CID 62253567

Frequently Asked Questions

What is the IUPAC name of 6-[[(1R,2S)-2-propan-2-ylcyclopropyl]methylamino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[(1R,2S)-2-propan-2-ylcyclopropyl]methylamino]pyridine-2-carboxylic acid (CID 122057986) is 6-[[(1R,2S)-2-propan-2-ylcyclopropyl]methylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[(1R,2S)-2-propan-2-ylcyclopropyl]methylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[(1R,2S)-2-propan-2-ylcyclopropyl]methylamino]pyridine-2-carboxylic acid is CC(C)[C@@H]1C[C@H]1CNc1cccc(C(=O)O)n1.
What is the InChIKey of 6-[[(1R,2S)-2-propan-2-ylcyclopropyl]methylamino]pyridine-2-carboxylic acid?
The InChIKey is DSVZOWPTQCBLFC-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-8(2)10-6-9(10)7-14-12-5-3-4-11(15-12)13(16)17/h3-5,8-10H,6-7H2,1-2H3,(H,14,15)(H,16,17)/t9-,10-/m0/s1.
What are the key properties of 6-[[(1R,2S)-2-propan-2-ylcyclopropyl]methylamino]pyridine-2-carboxylic acid?
6-[[(1R,2S)-2-propan-2-ylcyclopropyl]methylamino]pyridine-2-carboxylic acid has a molecular weight of 234.30 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1R,2S)-2-propan-2-ylcyclopropyl]methylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 122057986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).