methyl 5-amino-4-(oxetan-2-ylmethylamino)pyridine-2-carboxylate

C11H15N3O3 — CID 163570552

IUPACmethyl 5-amino-4-(oxetan-2-ylmethylamino)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(NCC2CCO2)c(N)cn1
InChIInChI=1S/C11H15N3O3/c1-16-11(15)10-4-9(8(12)6-14-10)13-5-7-2-3-17-7/h4,6-7H,2-3,5,12H2,1H3,(H,13,14)
InChIKeyFYYQXLCXSLQWBX-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.65
Rot. Bonds4

About methyl 5-amino-4-(oxetan-2-ylmethylamino)pyridine-2-carboxylate

methyl 5-amino-4-(oxetan-2-ylmethylamino)pyridine-2-carboxylate (PubChem CID 163570552) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is methyl 5-amino-4-(oxetan-2-ylmethylamino)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-4-(oxetan-2-ylmethylamino)pyridine-2-carboxylate
PubChem CID163570552
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Namemethyl 5-amino-4-(oxetan-2-ylmethylamino)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(NCC2CCO2)c(N)cn1
InChIInChI=1S/C11H15N3O3/c1-16-11(15)10-4-9(8(12)6-14-10)13-5-7-2-3-17-7/h4,6-7H,2-3,5,12H2,1H3,(H,13,14)
InChIKeyFYYQXLCXSLQWBX-UHFFFAOYSA-N
XLogP0.65
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-amino-3-(oxetan-2-ylmethylamino)benzoate
CID 135141200
methyl 4-amino-3-methoxy-5-[[(2S)-oxetan-2-yl]methylamino]benzoate
CID 166136555
methyl 4-amino-5-[[(2S)-oxetan-2-yl]methylamino]thiophene-2-carboxylate
CID 164544883
tert-butyl 4-amino-3-[[(2S)-oxetan-2-yl]methylamino]benzoate
CID 155090490
6-bromo-3-N-[[(2S)-oxetan-2-yl]methyl]pyridine-3,4-diamine
CID 167002967
methyl 2-[[(2S)-oxetan-2-yl]methylamino]benzoate
CID 169084059
4-amino-N-hydroxy-3-[[(2S)-oxetan-2-yl]methylamino]benzamide
CID 178171731
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
tert-butyl 5-amino-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate
CID 155190731
6-morpholin-4-yl-4-N-(oxolan-2-ylmethyl)pyridine-3,4-diamine
CID 123312240
4-bromo-1-N-[[(2S)-oxetan-2-yl]methyl]benzene-1,2-diamine
CID 167003262

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-4-(oxetan-2-ylmethylamino)pyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-4-(oxetan-2-ylmethylamino)pyridine-2-carboxylate (CID 163570552) is methyl 5-amino-4-(oxetan-2-ylmethylamino)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-4-(oxetan-2-ylmethylamino)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-4-(oxetan-2-ylmethylamino)pyridine-2-carboxylate is COC(=O)c1cc(NCC2CCO2)c(N)cn1.
What is the InChIKey of methyl 5-amino-4-(oxetan-2-ylmethylamino)pyridine-2-carboxylate?
The InChIKey is FYYQXLCXSLQWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-16-11(15)10-4-9(8(12)6-14-10)13-5-7-2-3-17-7/h4,6-7H,2-3,5,12H2,1H3,(H,13,14).
What are the key properties of methyl 5-amino-4-(oxetan-2-ylmethylamino)pyridine-2-carboxylate?
methyl 5-amino-4-(oxetan-2-ylmethylamino)pyridine-2-carboxylate has a molecular weight of 237.26 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-4-(oxetan-2-ylmethylamino)pyridine-2-carboxylate is sourced from PubChem (CID 163570552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).