amino 5-tert-butyl-2-methoxypyridine-3-carboxylate

C11H16N2O3 — CID 177260803

IUPACamino 5-tert-butyl-2-methoxypyridine-3-carboxylate
SMILESCOc1ncc(C(C)(C)C)cc1C(=O)ON
InChIInChI=1S/C11H16N2O3/c1-11(2,3)7-5-8(10(14)16-12)9(15-4)13-6-7/h5-6H,12H2,1-4H3
InChIKeyKGAZIVOHUGGPKR-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.42
Rot. Bonds2

About amino 5-tert-butyl-2-methoxypyridine-3-carboxylate

amino 5-tert-butyl-2-methoxypyridine-3-carboxylate (PubChem CID 177260803) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is amino 5-tert-butyl-2-methoxypyridine-3-carboxylate.

Molecular Properties

Compound Nameamino 5-tert-butyl-2-methoxypyridine-3-carboxylate
PubChem CID177260803
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Nameamino 5-tert-butyl-2-methoxypyridine-3-carboxylate
SMILESCOc1ncc(C(C)(C)C)cc1C(=O)ON
InChIInChI=1S/C11H16N2O3/c1-11(2,3)7-5-8(10(14)16-12)9(15-4)13-6-7/h5-6H,12H2,1-4H3
InChIKeyKGAZIVOHUGGPKR-UHFFFAOYSA-N
XLogP1.42
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]ethanone
CID 53423580
methyl 2-methoxy-5-methylpyridine-3-carboxylate
CID 22678367
tert-butyl 5-(bromomethyl)-2-methoxypyridine-3-carboxylate
CID 176589847
N-(5-tert-butyl-2-methoxy-3-pyridinyl)cyclopropanesulfonamide
CID 140963615
2-methoxy-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-3-carboxylic acid
CID 170171990
2-methoxy-5-methylpyridine-3-carboxamide
CID 123709075
(5-ethoxycarbonyl-6-methoxy-3-pyridinyl)boronic acid
CID 170902896
5-bromo-2-methoxypyridine-3-carboxamide
CID 70281718
methyl 5-[(2-cyano-2-methylpropanoyl)amino]-2-methoxypyridine-3-carboxylate
CID 100784803
5-hydroxy-2-methoxy-N-methylpyridine-3-carboxamide
CID 164765730
1-(5-amino-2-methoxy-3-pyridinyl)propan-1-one
CID 174731306
ethyl 2-methoxy-5-pyridin-4-ylpyridine-3-carboxylate
CID 46317910

Frequently Asked Questions

What is the IUPAC name of amino 5-tert-butyl-2-methoxypyridine-3-carboxylate?
The IUPAC name of amino 5-tert-butyl-2-methoxypyridine-3-carboxylate (CID 177260803) is amino 5-tert-butyl-2-methoxypyridine-3-carboxylate.
What is the SMILES notation for amino 5-tert-butyl-2-methoxypyridine-3-carboxylate?
The canonical SMILES for amino 5-tert-butyl-2-methoxypyridine-3-carboxylate is COc1ncc(C(C)(C)C)cc1C(=O)ON.
What is the InChIKey of amino 5-tert-butyl-2-methoxypyridine-3-carboxylate?
The InChIKey is KGAZIVOHUGGPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-11(2,3)7-5-8(10(14)16-12)9(15-4)13-6-7/h5-6H,12H2,1-4H3.
What are the key properties of amino 5-tert-butyl-2-methoxypyridine-3-carboxylate?
amino 5-tert-butyl-2-methoxypyridine-3-carboxylate has a molecular weight of 224.26 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for amino 5-tert-butyl-2-methoxypyridine-3-carboxylate is sourced from PubChem (CID 177260803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).