tert-butyl (5R)-3-(2-methoxyethyl)-2-oxo-1,3,7-triazaspiro[4.4]nonane-7-carboxylate

C14H25N3O4 — CID 177216424

IUPACtert-butyl (5R)-3-(2-methoxyethyl)-2-oxo-1,3,7-triazaspiro[4.4]nonane-7-carboxylate
SMILESCOCCN1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)NC1=O
InChIInChI=1S/C14H25N3O4/c1-13(2,3)21-12(19)17-6-5-14(10-17)9-16(7-8-20-4)11(18)15-14/h5-10H2,1-4H3,(H,15,18)/t14-/m1/s1
InChIKeyKMYNAHVAYYPGQI-CQSZACIVSA-N
MW299.37 g/mol
LogP1.04
Rot. Bonds3

About tert-butyl (5R)-3-(2-methoxyethyl)-2-oxo-1,3,7-triazaspiro[4.4]nonane-7-carboxylate

tert-butyl (5R)-3-(2-methoxyethyl)-2-oxo-1,3,7-triazaspiro[4.4]nonane-7-carboxylate (PubChem CID 177216424) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is tert-butyl (5R)-3-(2-methoxyethyl)-2-oxo-1,3,7-triazaspiro[4.4]nonane-7-carboxylate.

Molecular Properties

Compound Nametert-butyl (5R)-3-(2-methoxyethyl)-2-oxo-1,3,7-triazaspiro[4.4]nonane-7-carboxylate
PubChem CID177216424
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Nametert-butyl (5R)-3-(2-methoxyethyl)-2-oxo-1,3,7-triazaspiro[4.4]nonane-7-carboxylate
SMILESCOCCN1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)NC1=O
InChIInChI=1S/C14H25N3O4/c1-13(2,3)21-12(19)17-6-5-14(10-17)9-16(7-8-20-4)11(18)15-14/h5-10H2,1-4H3,(H,15,18)/t14-/m1/s1
InChIKeyKMYNAHVAYYPGQI-CQSZACIVSA-N
XLogP1.04
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl (5R)-3-(2-methoxyethyl)-2-oxo-1,3,7-triazaspiro[4.4]nonane-7-carboxylate with MolForge

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Related Compounds

tert-butyl 2-oxo-1,7-diazaspiro[4.4]nonane-7-carboxylate
CID 56973607
tert-butyl (5S)-3-oxo-1,2,7-triazaspiro[4.4]nonane-7-carboxylate
CID 124710760
tert-butyl 4-(2-methoxyethyl)-3,3-dimethylpiperazine-1-carboxylate
CID 118704567
tert-butyl (5S)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate
CID 86330800
tert-butyl 2,6-diazaspiro[4.6]undecane-2-carboxylate
CID 82623314
tert-butyl 3-fluoro-3-(fluoromethyl)pyrrolidine-1-carboxylate
CID 171704383
tert-butyl 3,3-difluoropyrrolidine-1-carboxylate
CID 18542424
9-O-benzyl 2-O-tert-butyl (5R)-2,6,9-triazaspiro[4.5]decane-2,9-dicarboxylate
CID 97111040
tert-butyl 4-(bromomethyl)-4-(2-methoxyethoxy)piperidine-1-carboxylate
CID 114773138
tert-butyl 2-oxo-3-pyrimidin-5-yl-1,3,8-triazaspiro[4.5]decane-8-carboxylate
CID 146405717
tert-butyl (4S)-4-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-3,3-dimethylpiperidine-1-carboxylate
CID 100745647
tert-butyl 3,3-dimethyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 59373529

Frequently Asked Questions

What is the IUPAC name of tert-butyl (5R)-3-(2-methoxyethyl)-2-oxo-1,3,7-triazaspiro[4.4]nonane-7-carboxylate?
The IUPAC name of tert-butyl (5R)-3-(2-methoxyethyl)-2-oxo-1,3,7-triazaspiro[4.4]nonane-7-carboxylate (CID 177216424) is tert-butyl (5R)-3-(2-methoxyethyl)-2-oxo-1,3,7-triazaspiro[4.4]nonane-7-carboxylate.
What is the SMILES notation for tert-butyl (5R)-3-(2-methoxyethyl)-2-oxo-1,3,7-triazaspiro[4.4]nonane-7-carboxylate?
The canonical SMILES for tert-butyl (5R)-3-(2-methoxyethyl)-2-oxo-1,3,7-triazaspiro[4.4]nonane-7-carboxylate is COCCN1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)NC1=O.
What is the InChIKey of tert-butyl (5R)-3-(2-methoxyethyl)-2-oxo-1,3,7-triazaspiro[4.4]nonane-7-carboxylate?
The InChIKey is KMYNAHVAYYPGQI-CQSZACIVSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-13(2,3)21-12(19)17-6-5-14(10-17)9-16(7-8-20-4)11(18)15-14/h5-10H2,1-4H3,(H,15,18)/t14-/m1/s1.
What are the key properties of tert-butyl (5R)-3-(2-methoxyethyl)-2-oxo-1,3,7-triazaspiro[4.4]nonane-7-carboxylate?
tert-butyl (5R)-3-(2-methoxyethyl)-2-oxo-1,3,7-triazaspiro[4.4]nonane-7-carboxylate has a molecular weight of 299.37 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5R)-3-(2-methoxyethyl)-2-oxo-1,3,7-triazaspiro[4.4]nonane-7-carboxylate is sourced from PubChem (CID 177216424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).