[8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methylcarbamic acid

C15H27N3O3 — CID 126736650

IUPAC[8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methylcarbamic acid
SMILESCC(C)(C)NC(=O)CN1C2CCC1CC(CNC(=O)O)C2
InChIInChI=1S/C15H27N3O3/c1-15(2,3)17-13(19)9-18-11-4-5-12(18)7-10(6-11)8-16-14(20)21/h10-12,16H,4-9H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyAEJUHZKNSOEEMD-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.41
Rot. Bonds4

About [8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methylcarbamic acid

[8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methylcarbamic acid (PubChem CID 126736650) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is [8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methylcarbamic acid.

Molecular Properties

Compound Name[8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methylcarbamic acid
PubChem CID126736650
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name[8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methylcarbamic acid
SMILESCC(C)(C)NC(=O)CN1C2CCC1CC(CNC(=O)O)C2
InChIInChI=1S/C15H27N3O3/c1-15(2,3)17-13(19)9-18-11-4-5-12(18)7-10(6-11)8-16-14(20)21/h10-12,16H,4-9H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyAEJUHZKNSOEEMD-UHFFFAOYSA-N
XLogP1.41
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methylcarbamic acid?
The IUPAC name of [8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methylcarbamic acid (CID 126736650) is [8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methylcarbamic acid.
What is the SMILES notation for [8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methylcarbamic acid?
The canonical SMILES for [8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methylcarbamic acid is CC(C)(C)NC(=O)CN1C2CCC1CC(CNC(=O)O)C2.
What is the InChIKey of [8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methylcarbamic acid?
The InChIKey is AEJUHZKNSOEEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-15(2,3)17-13(19)9-18-11-4-5-12(18)7-10(6-11)8-16-14(20)21/h10-12,16H,4-9H2,1-3H3,(H,17,19)(H,20,21).
What are the key properties of [8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methylcarbamic acid?
[8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methylcarbamic acid has a molecular weight of 297.40 g/mol, XLogP of 1.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methylcarbamic acid is sourced from PubChem (CID 126736650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).