tert-butyl 4-[[(1R,2R)-2-methylcyclopropyl]amino]-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate

C18H32N2O3 — CID 146475899

IUPACtert-butyl 4-[[(1R,2R)-2-methylcyclopropyl]amino]-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate
SMILESC[C@@H]1C[C@H]1NC1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1
InChIInChI=1S/C18H32N2O3/c1-13-11-15(13)19-14-5-10-22-18(12-14)6-8-20(9-7-18)16(21)23-17(2,3)4/h13-15,19H,5-12H2,1-4H3/t13-,14?,15-/m1/s1
InChIKeyKAXIEDKSOVGBMO-GIJJTGMTSA-N
MW324.47 g/mol
LogP2.93
Rot. Bonds2

About tert-butyl 4-[[(1R,2R)-2-methylcyclopropyl]amino]-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate

tert-butyl 4-[[(1R,2R)-2-methylcyclopropyl]amino]-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate (PubChem CID 146475899) has the molecular formula C18H32N2O3 and a molecular weight of 324.47 g/mol. Its IUPAC name is tert-butyl 4-[[(1R,2R)-2-methylcyclopropyl]amino]-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[(1R,2R)-2-methylcyclopropyl]amino]-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate
PubChem CID146475899
Molecular FormulaC18H32N2O3
Molecular Weight324.47 g/mol
Exact Mass324.24
IUPAC Nametert-butyl 4-[[(1R,2R)-2-methylcyclopropyl]amino]-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate
SMILESC[C@@H]1C[C@H]1NC1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1
InChIInChI=1S/C18H32N2O3/c1-13-11-15(13)19-14-5-10-22-18(12-14)6-8-20(9-7-18)16(21)23-17(2,3)4/h13-15,19H,5-12H2,1-4H3/t13-,14?,15-/m1/s1
InChIKeyKAXIEDKSOVGBMO-GIJJTGMTSA-N
XLogP2.93
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-[[(1R,2R)-2-methylcyclopropyl]amino]-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[(1R,2R)-2-methylcyclopropyl]amino]-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate?
The IUPAC name of tert-butyl 4-[[(1R,2R)-2-methylcyclopropyl]amino]-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate (CID 146475899) is tert-butyl 4-[[(1R,2R)-2-methylcyclopropyl]amino]-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate.
What is the SMILES notation for tert-butyl 4-[[(1R,2R)-2-methylcyclopropyl]amino]-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate?
The canonical SMILES for tert-butyl 4-[[(1R,2R)-2-methylcyclopropyl]amino]-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate is C[C@@H]1C[C@H]1NC1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1.
What is the InChIKey of tert-butyl 4-[[(1R,2R)-2-methylcyclopropyl]amino]-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate?
The InChIKey is KAXIEDKSOVGBMO-GIJJTGMTSA-N. The full InChI is InChI=1S/C18H32N2O3/c1-13-11-15(13)19-14-5-10-22-18(12-14)6-8-20(9-7-18)16(21)23-17(2,3)4/h13-15,19H,5-12H2,1-4H3/t13-,14?,15-/m1/s1.
What are the key properties of tert-butyl 4-[[(1R,2R)-2-methylcyclopropyl]amino]-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate?
tert-butyl 4-[[(1R,2R)-2-methylcyclopropyl]amino]-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate has a molecular weight of 324.47 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[(1R,2R)-2-methylcyclopropyl]amino]-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate is sourced from PubChem (CID 146475899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).