2-amino-4-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-3-carboxylic acid

C11H14N2O4 — CID 56923796

IUPAC2-amino-4-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)c1ccnc(N)c1C(=O)O
InChIInChI=1S/C11H14N2O4/c1-11(2,3)17-10(16)6-4-5-13-8(12)7(6)9(14)15/h4-5H,1-3H3,(H2,12,13)(H,14,15)
InChIKeyJPSQWPJMIUJXEM-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.32
Rot. Bonds2

About 2-amino-4-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-3-carboxylic acid

2-amino-4-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-3-carboxylic acid (PubChem CID 56923796) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-amino-4-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-4-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-3-carboxylic acid
PubChem CID56923796
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2-amino-4-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)c1ccnc(N)c1C(=O)O
InChIInChI=1S/C11H14N2O4/c1-11(2,3)17-10(16)6-4-5-13-8(12)7(6)9(14)15/h4-5H,1-3H3,(H2,12,13)(H,14,15)
InChIKeyJPSQWPJMIUJXEM-UHFFFAOYSA-N
XLogP1.32
TPSA102.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-amino-4-iodopyridine-3-carboxylate
CID 154073429
tert-butyl 2-amino-3-methylpyridine-4-carboxylate;methyl acetate
CID 174830370
ditert-butyl 2-hydrazinylpyridine-3,4-dicarboxylate
CID 67159419
tert-butyl 2-amino-4-cyanopyridine-3-carboxylate
CID 57364515
2-amino-6-[3-amino-2-carboxy-4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-3-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid
CID 67060704
2-methyl-6-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid
CID 69125479
methyl 2-amino-3-carbamoylpyridine-4-carboxylate
CID 174835549
2-fluoro-6-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid
CID 70018250
tert-butyl 2,5-diaminopyridine-3-carboxylate
CID 133055490
ditert-butyl 6-amino-5-phenylpyridine-3,4-dicarboxylate
CID 122604116
tert-butyl 4-amino-2-fluoropyridine-3-carboxylate
CID 133062943
4-amino-3-chloro-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-2-carboxylic acid
CID 175130774

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-amino-4-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-3-carboxylic acid (CID 56923796) is 2-amino-4-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-amino-4-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-amino-4-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-3-carboxylic acid is CC(C)(C)OC(=O)c1ccnc(N)c1C(=O)O.
What is the InChIKey of 2-amino-4-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-3-carboxylic acid?
The InChIKey is JPSQWPJMIUJXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-11(2,3)17-10(16)6-4-5-13-8(12)7(6)9(14)15/h4-5H,1-3H3,(H2,12,13)(H,14,15).
What are the key properties of 2-amino-4-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-3-carboxylic acid?
2-amino-4-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-3-carboxylic acid has a molecular weight of 238.24 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 56923796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).