5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyridine-2-carboxylic acid

C14H20N2O4 — CID 171652736

IUPAC5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyridine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)NC(C)(C)c1ccc(C(=O)O)nc1
InChIInChI=1S/C14H20N2O4/c1-13(2,3)20-12(19)16-14(4,5)9-6-7-10(11(17)18)15-8-9/h6-8H,1-5H3,(H,16,19)(H,17,18)
InChIKeyRGMHMLZUJWYUQI-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.54
Rot. Bonds3

About 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyridine-2-carboxylic acid

5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyridine-2-carboxylic acid (PubChem CID 171652736) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyridine-2-carboxylic acid
PubChem CID171652736
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyridine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)NC(C)(C)c1ccc(C(=O)O)nc1
InChIInChI=1S/C14H20N2O4/c1-13(2,3)20-12(19)16-14(4,5)9-6-7-10(11(17)18)15-8-9/h6-8H,1-5H3,(H,16,19)(H,17,18)
InChIKeyRGMHMLZUJWYUQI-UHFFFAOYSA-N
XLogP2.54
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]pyridine-2-carboxylic acid
CID 53224655
tert-butyl N-[2-(4-iodophenyl)propan-2-yl]carbamate
CID 133062885
5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]pyridine-2-carboxylic acid
CID 114518085
tert-butyl N-[2-(3,5-difluorophenyl)propan-2-yl]carbamate
CID 118336731
tert-butyl N-[2-(5-fluoropyrimidin-2-yl)propan-2-yl]carbamate
CID 167721913
CID 177154667
CID 177154667
tert-butyl N-[2-[4-(5-amino-3-phenyl-2-pyridinyl)phenyl]propan-2-yl]carbamate
CID 121449253
tert-butyl N-[2-(3-methylimidazol-4-yl)propan-2-yl]carbamate
CID 114703715
tert-butyl N-[2-(4-amino-2-pyridinyl)propan-2-yl]carbamate
CID 167211985
5-[2-(tert-butylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
CID 79795048
5-(1,1,2-trifluoroethyl)pyridine-2-carboxylic acid
CID 142789603
pyridine-2,5-dicarboxylic acid
CID 158970171

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyridine-2-carboxylic acid (CID 171652736) is 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyridine-2-carboxylic acid is CC(C)(C)OC(=O)NC(C)(C)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyridine-2-carboxylic acid?
The InChIKey is RGMHMLZUJWYUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-13(2,3)20-12(19)16-14(4,5)9-6-7-10(11(17)18)15-8-9/h6-8H,1-5H3,(H,16,19)(H,17,18).
What are the key properties of 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyridine-2-carboxylic acid?
5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyridine-2-carboxylic acid has a molecular weight of 280.32 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 171652736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).