CID 164667378

C15H23NO3 — CID 164667378

IUPAC—
SMILESCC(C)(C)OC(=O)N1C2CC[C@@H]1CC1(C2)OC12CC2
InChIInChI=1S/C15H23NO3/c1-13(2,3)18-12(17)16-10-4-5-11(16)9-15(8-10)14(19-15)6-7-14/h10-11H,4-9H2,1-3H3/t10-,11?,15?/m1/s1
InChIKeyUMHGGXQXWMBPFG-RWWNRMGGSA-N
MW265.35 g/mol
LogP2.85
Rot. Bonds

About CID 164667378

CID 164667378 (PubChem CID 164667378) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol.

Molecular Properties

Compound NameCID 164667378
PubChem CID164667378
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name—
SMILESCC(C)(C)OC(=O)N1C2CC[C@@H]1CC1(C2)OC12CC2
InChIInChI=1S/C15H23NO3/c1-13(2,3)18-12(17)16-10-4-5-11(16)9-15(8-10)14(19-15)6-7-14/h10-11H,4-9H2,1-3H3/t10-,11?,15?/m1/s1
InChIKeyUMHGGXQXWMBPFG-RWWNRMGGSA-N
XLogP2.85
TPSA42.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

rac-tert-butyl (1S,3R,5R)-8-azaspiro[bicyclo[3.2.1]octane-3,2'-oxirane]-8-carboxylate
CID 50986388
tert-butyl (5R)-3'-methylspiro[8-azabicyclo[3.2.1]octane-3,2'-oxirane]-8-carboxylate
CID 138977960
CID 164667086
CID 164667086
Tert-butyl endo-3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 45489894
Tert-butyl 3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 53395263
Tert-butyl 8-azaspiro[bicyclo[3.2.1]octane-3,2'-oxirane]-8-carboxylate
CID 57927274
(1-Methylcyclopropyl) 3-propan-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 68197259
Cyclopropyl 3-ethyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 70326827
tert-butyl (5R)-3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 70842068
Ethyl spiro[8-azabicyclo[3.2.1]octane-3,2'-oxirane]-8-carboxylate
CID 142638236
tert-butyl (5S)-spiro[8-azabicyclo[3.2.1]octane-3,2'-oxirane]-8-carboxylate
CID 170042944
butyl (1S,5R)-spiro[8-azabicyclo[3.2.1]octane-3,2'-oxirane]-8-carboxylate
CID 175893161

Frequently Asked Questions

What is the IUPAC name of CID 164667378?
The IUPAC name of CID 164667378 (CID 164667378) is not available.
What is the SMILES notation for CID 164667378?
The canonical SMILES for CID 164667378 is CC(C)(C)OC(=O)N1C2CC[C@@H]1CC1(C2)OC12CC2.
What is the InChIKey of CID 164667378?
The InChIKey is UMHGGXQXWMBPFG-RWWNRMGGSA-N. The full InChI is InChI=1S/C15H23NO3/c1-13(2,3)18-12(17)16-10-4-5-11(16)9-15(8-10)14(19-15)6-7-14/h10-11H,4-9H2,1-3H3/t10-,11?,15?/m1/s1.
What are the key properties of CID 164667378?
CID 164667378 has a molecular weight of 265.35 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164667378 is sourced from PubChem (CID 164667378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).