methyl 2-[[(2S)-butan-2-yl]amino]pyridine-4-carboxylate

C11H16N2O2 — CID 68814422

IUPACmethyl 2-[[(2S)-butan-2-yl]amino]pyridine-4-carboxylate
SMILESCC[C@H](C)Nc1cc(C(=O)OC)ccn1
InChIInChI=1S/C11H16N2O2/c1-4-8(2)13-10-7-9(5-6-12-10)11(14)15-3/h5-8H,4H2,1-3H3,(H,12,13)/t8-/m0/s1
InChIKeyPVOPUARXHXVQHM-QMMMGPOBSA-N
MW208.26 g/mol
LogP2.08
Rot. Bonds4

About methyl 2-[[(2S)-butan-2-yl]amino]pyridine-4-carboxylate

methyl 2-[[(2S)-butan-2-yl]amino]pyridine-4-carboxylate (PubChem CID 68814422) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is methyl 2-[[(2S)-butan-2-yl]amino]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[(2S)-butan-2-yl]amino]pyridine-4-carboxylate
PubChem CID68814422
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Namemethyl 2-[[(2S)-butan-2-yl]amino]pyridine-4-carboxylate
SMILESCC[C@H](C)Nc1cc(C(=O)OC)ccn1
InChIInChI=1S/C11H16N2O2/c1-4-8(2)13-10-7-9(5-6-12-10)11(14)15-3/h5-8H,4H2,1-3H3,(H,12,13)/t8-/m0/s1
InChIKeyPVOPUARXHXVQHM-QMMMGPOBSA-N
XLogP2.08
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(butan-2-ylamino)pyridine-4-carboxylate
CID 68814423
methyl 4-[[2-(butan-2-ylamino)pyridine-4-carbonyl]amino]benzoate
CID 109165944
2-(butan-2-ylamino)pyridine-4-carboxamide
CID 131204108
methyl 2-(propanoylamino)pyridine-4-carboxylate
CID 67508364
2-(butan-2-ylamino)-N-butylpyridine-4-carboxamide
CID 109165401
methyl 4-(butan-2-ylamino)pyrimidine-2-carboxylate
CID 66287417
2-(butan-2-ylamino)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 109165938
methyl 4-[[4-(butan-2-ylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109165860
methyl 3-[[6-(butan-2-ylamino)pyrimidin-4-yl]amino]benzoate
CID 112855586
methyl 2-(trideuteriomethylamino)pyridine-4-carboxylate
CID 155292007
2-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-4-carboxamide
CID 109165889
methyl 2-(phosphanylamino)pyridine-4-carboxylate
CID 22084632

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2S)-butan-2-yl]amino]pyridine-4-carboxylate?
The IUPAC name of methyl 2-[[(2S)-butan-2-yl]amino]pyridine-4-carboxylate (CID 68814422) is methyl 2-[[(2S)-butan-2-yl]amino]pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-[[(2S)-butan-2-yl]amino]pyridine-4-carboxylate?
The canonical SMILES for methyl 2-[[(2S)-butan-2-yl]amino]pyridine-4-carboxylate is CC[C@H](C)Nc1cc(C(=O)OC)ccn1.
What is the InChIKey of methyl 2-[[(2S)-butan-2-yl]amino]pyridine-4-carboxylate?
The InChIKey is PVOPUARXHXVQHM-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-4-8(2)13-10-7-9(5-6-12-10)11(14)15-3/h5-8H,4H2,1-3H3,(H,12,13)/t8-/m0/s1.
What are the key properties of methyl 2-[[(2S)-butan-2-yl]amino]pyridine-4-carboxylate?
methyl 2-[[(2S)-butan-2-yl]amino]pyridine-4-carboxylate has a molecular weight of 208.26 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2S)-butan-2-yl]amino]pyridine-4-carboxylate is sourced from PubChem (CID 68814422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).