propan-2-yl 2-azabicyclo[2.2.1]heptane-2-carboxylate

C10H17NO2 — CID 116654809

IUPACpropan-2-yl 2-azabicyclo[2.2.1]heptane-2-carboxylate
SMILESCC(C)OC(=O)N1CC2CCC1C2
InChIInChI=1S/C10H17NO2/c1-7(2)13-10(12)11-6-8-3-4-9(11)5-8/h7-9H,3-6H2,1-2H3
InChIKeyVHDRVVXBNWGQGI-UHFFFAOYSA-N
MW183.25 g/mol
LogP2.02
Rot. Bonds1

About propan-2-yl 2-azabicyclo[2.2.1]heptane-2-carboxylate

propan-2-yl 2-azabicyclo[2.2.1]heptane-2-carboxylate (PubChem CID 116654809) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is propan-2-yl 2-azabicyclo[2.2.1]heptane-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-azabicyclo[2.2.1]heptane-2-carboxylate
PubChem CID116654809
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namepropan-2-yl 2-azabicyclo[2.2.1]heptane-2-carboxylate
SMILESCC(C)OC(=O)N1CC2CCC1C2
InChIInChI=1S/C10H17NO2/c1-7(2)13-10(12)11-6-8-3-4-9(11)5-8/h7-9H,3-6H2,1-2H3
InChIKeyVHDRVVXBNWGQGI-UHFFFAOYSA-N
XLogP2.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-azabicyclo[2.2.1]heptan-2-yl)-2-bromopropan-1-one
CID 107905003
1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-hydroxypentan-1-one
CID 79191629
(2R)-2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methylbutan-1-one
CID 79012311
N-methoxy-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 130614903
1-(2-azabicyclo[2.2.1]heptan-2-yl)-2,2-difluoroethanone
CID 103515712
propan-2-yl 3-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]-6-azabicyclo[3.2.2]nonane-6-carboxylate
CID 70657741
methyl 2-azabicyclo[2.2.2]octane-2-carboxylate
CID 130165644
2-azabicyclo[2.2.1]heptan-2-yl-(1-methylcyclopropyl)methanone
CID 130635119
2-azabicyclo[2.2.1]heptan-2-yl-(1-propan-2-ylpiperidin-4-yl)methanone
CID 89459187
propan-2-yl 2-ethyl-4-methylpyrrolidine-1-carboxylate
CID 143813112
(2R)-2-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-3,3-dimethylbutan-1-one
CID 103929735
4-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methoxybutan-1-one
CID 103155667

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-azabicyclo[2.2.1]heptane-2-carboxylate?
The IUPAC name of propan-2-yl 2-azabicyclo[2.2.1]heptane-2-carboxylate (CID 116654809) is propan-2-yl 2-azabicyclo[2.2.1]heptane-2-carboxylate.
What is the SMILES notation for propan-2-yl 2-azabicyclo[2.2.1]heptane-2-carboxylate?
The canonical SMILES for propan-2-yl 2-azabicyclo[2.2.1]heptane-2-carboxylate is CC(C)OC(=O)N1CC2CCC1C2.
What is the InChIKey of propan-2-yl 2-azabicyclo[2.2.1]heptane-2-carboxylate?
The InChIKey is VHDRVVXBNWGQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-7(2)13-10(12)11-6-8-3-4-9(11)5-8/h7-9H,3-6H2,1-2H3.
What are the key properties of propan-2-yl 2-azabicyclo[2.2.1]heptane-2-carboxylate?
propan-2-yl 2-azabicyclo[2.2.1]heptane-2-carboxylate has a molecular weight of 183.25 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-azabicyclo[2.2.1]heptane-2-carboxylate is sourced from PubChem (CID 116654809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).