methyl 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-3-carboxylate

C12H18N2O3 — CID 79247382

IUPACmethyl 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1N[C@H](CO)C(C)C
InChIInChI=1S/C12H18N2O3/c1-8(2)10(7-15)14-11-9(12(16)17-3)5-4-6-13-11/h4-6,8,10,15H,7H2,1-3H3,(H,13,14)/t10-/m1/s1
InChIKeyUDSULZNCWAMNLI-SNVBAGLBSA-N
MW238.29 g/mol
LogP1.30
Rot. Bonds5

About methyl 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-3-carboxylate

methyl 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-3-carboxylate (PubChem CID 79247382) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is methyl 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-3-carboxylate
PubChem CID79247382
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Namemethyl 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1N[C@H](CO)C(C)C
InChIInChI=1S/C12H18N2O3/c1-8(2)10(7-15)14-11-9(12(16)17-3)5-4-6-13-11/h4-6,8,10,15H,7H2,1-3H3,(H,13,14)/t10-/m1/s1
InChIKeyUDSULZNCWAMNLI-SNVBAGLBSA-N
XLogP1.30
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(1-methoxypropan-2-ylamino)pyridine-3-carboxylate
CID 60722314
methyl 2-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylate
CID 65034793
methyl 2-(1-cyclopropylethylamino)pyridine-3-carboxylate
CID 60722799
methyl 4-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-methylpyrimidine-5-carboxylate
CID 114214772
3-methyl-2-[(3-methylsulfonyl-2-pyridinyl)amino]butan-1-ol
CID 114598966
methyl 2-[1-(4-methoxyphenyl)ethylamino]pyridine-3-carboxylate
CID 66242631
methyl 2-[1-(4-bromophenyl)ethylamino]pyridine-3-carboxylate
CID 60722191
methyl 2-(1-thiophen-2-ylethylamino)pyridine-3-carboxylate
CID 60721902
methyl 2-(1-cyclohexylethylamino)pyridine-3-carboxylate
CID 62407549
methyl 2-(2,2-dimethoxyethylamino)pyridine-3-carboxylate
CID 107389941
methyl 2-(trimethylsilylamino)pyridine-3-carboxylate
CID 15121306
ethyl 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyridine-3-carboxylate
CID 106186512

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-3-carboxylate (CID 79247382) is methyl 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-3-carboxylate is COC(=O)c1cccnc1N[C@H](CO)C(C)C.
What is the InChIKey of methyl 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-3-carboxylate?
The InChIKey is UDSULZNCWAMNLI-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8(2)10(7-15)14-11-9(12(16)17-3)5-4-6-13-11/h4-6,8,10,15H,7H2,1-3H3,(H,13,14)/t10-/m1/s1.
What are the key properties of methyl 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-3-carboxylate?
methyl 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-3-carboxylate has a molecular weight of 238.29 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 79247382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).