4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-2-carboxylic acid

C11H16N2O3 — CID 79250554

IUPAC4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-2-carboxylic acid
SMILESCC(C)[C@@H](CO)Nc1ccnc(C(=O)O)c1
InChIInChI=1S/C11H16N2O3/c1-7(2)10(6-14)13-8-3-4-12-9(5-8)11(15)16/h3-5,7,10,14H,6H2,1-2H3,(H,12,13)(H,15,16)/t10-/m1/s1
InChIKeyCBTWNMXLSZUXTR-SNVBAGLBSA-N
MW224.26 g/mol
LogP1.21
Rot. Bonds5

About 4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-2-carboxylic acid

4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-2-carboxylic acid (PubChem CID 79250554) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-2-carboxylic acid
PubChem CID79250554
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-2-carboxylic acid
SMILESCC(C)[C@@H](CO)Nc1ccnc(C(=O)O)c1
InChIInChI=1S/C11H16N2O3/c1-7(2)10(6-14)13-8-3-4-12-9(5-8)11(15)16/h3-5,7,10,14H,6H2,1-2H3,(H,12,13)(H,15,16)/t10-/m1/s1
InChIKeyCBTWNMXLSZUXTR-SNVBAGLBSA-N
XLogP1.21
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-hydroxypropan-2-ylamino)pyridine-2-carboxylic acid
CID 63265091
(2S)-3-methyl-2-[(2-methyl-4-pyridinyl)amino]butan-1-ol
CID 114985818
4-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-2-carboxylic acid
CID 102906568
4-[(1-amino-4-methylpentan-3-yl)amino]pyridine-2-carboxamide
CID 106357604
4-(4-methoxybutan-2-ylamino)pyridine-2-carboxylic acid
CID 64606104
1-[4-(1-hydroxypropan-2-ylamino)-2-pyridinyl]ethanone
CID 130645621
4-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-2-carboxamide
CID 65048588
(2S)-3-methyl-2-[[2-(propylamino)-4-pyridinyl]amino]butan-1-ol
CID 114982685
4-[1-(4-fluorophenyl)propan-2-ylamino]pyridine-2-carboxylic acid
CID 63009703
4-(1-piperidin-1-ylpropan-2-ylamino)pyridine-2-carboxylic acid
CID 61499911
2-chloro-4-[(1-hydroxy-3-methylbutan-2-yl)amino]benzoic acid
CID 79245176
4-[1-(5-methylfuran-2-yl)ethylamino]pyridine-2-carboxylic acid
CID 61477977

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-2-carboxylic acid (CID 79250554) is 4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-2-carboxylic acid is CC(C)[C@@H](CO)Nc1ccnc(C(=O)O)c1.
What is the InChIKey of 4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-2-carboxylic acid?
The InChIKey is CBTWNMXLSZUXTR-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-7(2)10(6-14)13-8-3-4-12-9(5-8)11(15)16/h3-5,7,10,14H,6H2,1-2H3,(H,12,13)(H,15,16)/t10-/m1/s1.
What are the key properties of 4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-2-carboxylic acid?
4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-2-carboxylic acid has a molecular weight of 224.26 g/mol, XLogP of 1.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 79250554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).