tert-butyl (5R,7R)-7-ethyl-10-oxo-8,11-diazadispiro[2.1.45.23]undecane-8-carboxylate

C16H26N2O3 — CID 171733295

IUPACtert-butyl (5R,7R)-7-ethyl-10-oxo-8,11-diazadispiro[2.1.45.23]undecane-8-carboxylate
SMILESCC[C@@H]1C[C@]2(CN1C(=O)OC(C)(C)C)CC1(CC1)NC2=O
InChIInChI=1S/C16H26N2O3/c1-5-11-8-15(9-16(6-7-16)17-12(15)19)10-18(11)13(20)21-14(2,3)4/h11H,5-10H2,1-4H3,(H,17,19)/t11-,15-/m1/s1
InChIKeyDCTFMYJCVWXMCI-IAQYHMDHSA-N
MW294.39 g/mol
LogP2.44
Rot. Bonds1

About tert-butyl (5R,7R)-7-ethyl-10-oxo-8,11-diazadispiro[2.1.45.23]undecane-8-carboxylate

tert-butyl (5R,7R)-7-ethyl-10-oxo-8,11-diazadispiro[2.1.45.23]undecane-8-carboxylate (PubChem CID 171733295) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is tert-butyl (5R,7R)-7-ethyl-10-oxo-8,11-diazadispiro[2.1.45.23]undecane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl (5R,7R)-7-ethyl-10-oxo-8,11-diazadispiro[2.1.45.23]undecane-8-carboxylate
PubChem CID171733295
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Nametert-butyl (5R,7R)-7-ethyl-10-oxo-8,11-diazadispiro[2.1.45.23]undecane-8-carboxylate
SMILESCC[C@@H]1C[C@]2(CN1C(=O)OC(C)(C)C)CC1(CC1)NC2=O
InChIInChI=1S/C16H26N2O3/c1-5-11-8-15(9-16(6-7-16)17-12(15)19)10-18(11)13(20)21-14(2,3)4/h11H,5-10H2,1-4H3,(H,17,19)/t11-,15-/m1/s1
InChIKeyDCTFMYJCVWXMCI-IAQYHMDHSA-N
XLogP2.44
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl (5R,7R)-7-ethyl-10-oxo-8,11-diazadispiro[2.1.45.23]undecane-8-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl (6S,8S)-8-carbamoyl-11-oxo-9,12-diazadispiro[2.2.46.23]dodecane-9-carboxylate
CID 175903341
tert-butyl 2-ethylaziridine-1-carboxylate
CID 73192323
tert-butyl (5S,8S)-8-carbamoyl-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate
CID 168792888
2-[(2S)-4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]acetic acid
CID 163321538
tert-butyl 2-(aminomethyl)-4,4-difluoropyrrolidine-1-carboxylate
CID 122411574
tert-butyl (2R)-4,4-difluoro-2-(2-hydroxyethyl)pyrrolidine-1-carboxylate
CID 177223139
tert-butyl (2R)-2-(aminomethyl)-5,5-dimethylpiperidine-1-carboxylate
CID 124603858
tert-butyl (2S,4S)-4-hydroxy-2,4-bis(hydroxymethyl)pyrrolidine-1-carboxylate
CID 11334108
tert-butyl (2S)-4-fluoro-4-(fluoromethyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 155904404
tert-butyl 3,3-dimethyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 59373529
tert-butyl N-[(2S)-1-[(6S,8S)-8-carbamoyl-11-oxo-9,12-diazadispiro[2.2.46.23]dodecan-9-yl]-4-methyl-1-oxopentan-2-yl]-N-methylcarbamate
CID 175903625
tert-butyl (2R)-2-(hydroxymethyl)-4-oxopyrrolidine-1-carboxylate
CID 22848098

Frequently Asked Questions

What is the IUPAC name of tert-butyl (5R,7R)-7-ethyl-10-oxo-8,11-diazadispiro[2.1.45.23]undecane-8-carboxylate?
The IUPAC name of tert-butyl (5R,7R)-7-ethyl-10-oxo-8,11-diazadispiro[2.1.45.23]undecane-8-carboxylate (CID 171733295) is tert-butyl (5R,7R)-7-ethyl-10-oxo-8,11-diazadispiro[2.1.45.23]undecane-8-carboxylate.
What is the SMILES notation for tert-butyl (5R,7R)-7-ethyl-10-oxo-8,11-diazadispiro[2.1.45.23]undecane-8-carboxylate?
The canonical SMILES for tert-butyl (5R,7R)-7-ethyl-10-oxo-8,11-diazadispiro[2.1.45.23]undecane-8-carboxylate is CC[C@@H]1C[C@]2(CN1C(=O)OC(C)(C)C)CC1(CC1)NC2=O.
What is the InChIKey of tert-butyl (5R,7R)-7-ethyl-10-oxo-8,11-diazadispiro[2.1.45.23]undecane-8-carboxylate?
The InChIKey is DCTFMYJCVWXMCI-IAQYHMDHSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-5-11-8-15(9-16(6-7-16)17-12(15)19)10-18(11)13(20)21-14(2,3)4/h11H,5-10H2,1-4H3,(H,17,19)/t11-,15-/m1/s1.
What are the key properties of tert-butyl (5R,7R)-7-ethyl-10-oxo-8,11-diazadispiro[2.1.45.23]undecane-8-carboxylate?
tert-butyl (5R,7R)-7-ethyl-10-oxo-8,11-diazadispiro[2.1.45.23]undecane-8-carboxylate has a molecular weight of 294.39 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5R,7R)-7-ethyl-10-oxo-8,11-diazadispiro[2.1.45.23]undecane-8-carboxylate is sourced from PubChem (CID 171733295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).