tert-butyl 5-amino-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate

C14H21N3O3 — CID 155190731

IUPACtert-butyl 5-amino-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate
SMILESCC(C)(C)OC(=O)c1ccc(N)c(NC[C@@H]2CCO2)n1
InChIInChI=1S/C14H21N3O3/c1-14(2,3)20-13(18)11-5-4-10(15)12(17-11)16-8-9-6-7-19-9/h4-5,9H,6-8,15H2,1-3H3,(H,16,17)/t9-/m0/s1
InChIKeyACIGFSLCLULCIZ-VIFPVBQESA-N
MW279.34 g/mol
LogP1.82
Rot. Bonds4

About tert-butyl 5-amino-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate

tert-butyl 5-amino-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate (PubChem CID 155190731) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is tert-butyl 5-amino-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-amino-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate
PubChem CID155190731
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Nametert-butyl 5-amino-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate
SMILESCC(C)(C)OC(=O)c1ccc(N)c(NC[C@@H]2CCO2)n1
InChIInChI=1S/C14H21N3O3/c1-14(2,3)20-13(18)11-5-4-10(15)12(17-11)16-8-9-6-7-19-9/h4-5,9H,6-8,15H2,1-3H3,(H,16,17)/t9-/m0/s1
InChIKeyACIGFSLCLULCIZ-VIFPVBQESA-N
XLogP1.82
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl 5-amino-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate with MolForge

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Related Compounds

tert-butyl 4-amino-3-[[(2S)-oxetan-2-yl]methylamino]benzoate
CID 155090490
methyl 5-amino-6-[(2-methylcyclopentyl)methylamino]pyridine-2-carboxylate
CID 107420380
6-methoxy-2-N-(oxan-2-ylmethyl)pyridine-2,3-diamine
CID 113286504
methyl 4-amino-2-fluoro-3-[[(2S)-oxetan-2-yl]methylamino]benzoate
CID 155095941
methyl 4-amino-2-fluoro-3-(oxetan-2-ylmethylamino)benzoate
CID 175243060
5-amino-6-(cyclohexylmethylamino)pyridine-2-carboxylic acid
CID 114405447
methyl 4-amino-3-(oxetan-2-ylmethylamino)benzoate
CID 135141200
methyl 5-amino-4-(oxetan-2-ylmethylamino)pyridine-2-carboxylate
CID 163570552
methyl 5-amino-6-[1-(oxolan-2-yl)ethylamino]pyridine-2-carboxylate
CID 114405472
methyl 2-[[(2S)-oxetan-2-yl]methylamino]benzoate
CID 169084059
5-amino-6-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-2-carboxylic acid
CID 106028495
tert-butyl 3-[[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]methyl]benzoate
CID 166357526

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-amino-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate?
The IUPAC name of tert-butyl 5-amino-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate (CID 155190731) is tert-butyl 5-amino-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate.
What is the SMILES notation for tert-butyl 5-amino-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate?
The canonical SMILES for tert-butyl 5-amino-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate is CC(C)(C)OC(=O)c1ccc(N)c(NC[C@@H]2CCO2)n1.
What is the InChIKey of tert-butyl 5-amino-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate?
The InChIKey is ACIGFSLCLULCIZ-VIFPVBQESA-N. The full InChI is InChI=1S/C14H21N3O3/c1-14(2,3)20-13(18)11-5-4-10(15)12(17-11)16-8-9-6-7-19-9/h4-5,9H,6-8,15H2,1-3H3,(H,16,17)/t9-/m0/s1.
What are the key properties of tert-butyl 5-amino-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate?
tert-butyl 5-amino-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-amino-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate is sourced from PubChem (CID 155190731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).