tert-butyl 4-amino-5-(2-methoxy-2-oxoethanimidoyl)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate

C14H23N3O4 — CID 155716367

IUPACtert-butyl 4-amino-5-(2-methoxy-2-oxoethanimidoyl)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILES[H]/N=C(\C(=O)OC)C1=C(N)CC(C)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H23N3O4/c1-8-6-10(15)9(11(16)12(18)20-5)7-17(8)13(19)21-14(2,3)4/h8,16H,6-7,15H2,1-5H3/b16-11-
InChIKeyDEZZYALKNOWEKB-WJDWOHSUSA-N
MW297.36 g/mol
LogP1.42
Rot. Bonds2

About tert-butyl 4-amino-5-(2-methoxy-2-oxoethanimidoyl)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl 4-amino-5-(2-methoxy-2-oxoethanimidoyl)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 155716367) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is tert-butyl 4-amino-5-(2-methoxy-2-oxoethanimidoyl)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-amino-5-(2-methoxy-2-oxoethanimidoyl)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID155716367
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Nametert-butyl 4-amino-5-(2-methoxy-2-oxoethanimidoyl)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILES[H]/N=C(\C(=O)OC)C1=C(N)CC(C)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H23N3O4/c1-8-6-10(15)9(11(16)12(18)20-5)7-17(8)13(19)21-14(2,3)4/h8,16H,6-7,15H2,1-5H3/b16-11-
InChIKeyDEZZYALKNOWEKB-WJDWOHSUSA-N
XLogP1.42
TPSA105.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze tert-butyl 4-amino-5-(2-methoxy-2-oxoethanimidoyl)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate with MolForge

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Related Compounds

tert-butyl (2S)-4-amino-5-methanimidoyl-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 170016264
tert-butyl 5-amino-4-methanimidoyl-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 170016245
tert-butyl 2-methyl-5-methylidenepiperidine-1-carboxylate
CID 152995833
tert-butyl 2,5-dimethyl-3-oxopiperidine-1-carboxylate
CID 155819641
tert-butyl (6S)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxylate
CID 154631016
tert-butyl 3-methyl-6-oxo-1,4-oxazepane-4-carboxylate
CID 118230392
tert-butyl (2S)-4-ethyl-2-methyl-5-oxopiperazine-1-carboxylate
CID 90740557
ditert-butyl (3S,6R)-3,6-dimethyldiazinane-1,2-dicarboxylate
CID 101100448
tert-butyl 6-methoxy-3-methyl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 153373718
tert-butyl 3,6-dimethyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;ethane
CID 176669163
tert-butyl (2S)-4-fluoro-2-methylpyrrolidine-1-carboxylate
CID 118296593
1-O-tert-butyl 2-O-methyl 3-methylideneazetidine-1,2-dicarboxylate
CID 155973176

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-amino-5-(2-methoxy-2-oxoethanimidoyl)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 4-amino-5-(2-methoxy-2-oxoethanimidoyl)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate (CID 155716367) is tert-butyl 4-amino-5-(2-methoxy-2-oxoethanimidoyl)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-amino-5-(2-methoxy-2-oxoethanimidoyl)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 4-amino-5-(2-methoxy-2-oxoethanimidoyl)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate is [H]/N=C(\C(=O)OC)C1=C(N)CC(C)N(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 4-amino-5-(2-methoxy-2-oxoethanimidoyl)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is DEZZYALKNOWEKB-WJDWOHSUSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-8-6-10(15)9(11(16)12(18)20-5)7-17(8)13(19)21-14(2,3)4/h8,16H,6-7,15H2,1-5H3/b16-11-.
What are the key properties of tert-butyl 4-amino-5-(2-methoxy-2-oxoethanimidoyl)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 4-amino-5-(2-methoxy-2-oxoethanimidoyl)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 297.36 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-amino-5-(2-methoxy-2-oxoethanimidoyl)-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 155716367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).