6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid

C11H14N2O4 — CID 20623926

IUPAC6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1ccc(C(=O)O)cn1
InChIInChI=1S/C11H14N2O4/c1-11(2,3)17-10(16)13-8-5-4-7(6-12-8)9(14)15/h4-6H,1-3H3,(H,14,15)(H,12,13,16)
InChIKeySTXYMSGJQJBIHL-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.13
Rot. Bonds2

About 6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid

6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid (PubChem CID 20623926) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid
PubChem CID20623926
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1ccc(C(=O)O)cn1
InChIInChI=1S/C11H14N2O4/c1-11(2,3)17-10(16)13-8-5-4-7(6-12-8)9(14)15/h4-6H,1-3H3,(H,14,15)(H,12,13,16)
InChIKeySTXYMSGJQJBIHL-UHFFFAOYSA-N
XLogP2.13
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 4488
CID 4488
CID 72930
CID 72930
CID 10466908
CID 10466908
CID 71827
CID 71827
CID 737487
CID 737487
CID 18496
CID 18496
CID 99209
CID 99209
CID 28400003
CID 28400003
CID 28400038
CID 28400038
CID 351633
CID 351633
CID 214596
CID 214596
CID 419744
CID 419744

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid (CID 20623926) is 6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid is CC(C)(C)OC(=O)Nc1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid?
The InChIKey is STXYMSGJQJBIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-11(2,3)17-10(16)13-8-5-4-7(6-12-8)9(14)15/h4-6H,1-3H3,(H,14,15)(H,12,13,16).
What are the key properties of 6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid?
6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid has a molecular weight of 238.24 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 20623926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).