tert-butyl 2-[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]-5-methyl-3-oxo-2,5,8-triazaspiro[3.5]nonane-8-carboxylate

C15H26N4O4S — CID 134241870

IUPACtert-butyl 2-[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]-5-methyl-3-oxo-2,5,8-triazaspiro[3.5]nonane-8-carboxylate
SMILESCN1CCN(C(=O)OC(C)(C)C)CC12CN([C@@H](CS)C(N)=O)C2=O
InChIInChI=1S/C15H26N4O4S/c1-14(2,3)23-13(22)18-6-5-17(4)15(8-18)9-19(12(15)21)10(7-24)11(16)20/h10,24H,5-9H2,1-4H3,(H2,16,20)/t10-,15?/m0/s1
InChIKeyGVSRKGCJSDXOTL-MYHCZTBNSA-N
MW358.46 g/mol
LogP-0.47
Rot. Bonds3

About tert-butyl 2-[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]-5-methyl-3-oxo-2,5,8-triazaspiro[3.5]nonane-8-carboxylate

tert-butyl 2-[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]-5-methyl-3-oxo-2,5,8-triazaspiro[3.5]nonane-8-carboxylate (PubChem CID 134241870) has the molecular formula C15H26N4O4S and a molecular weight of 358.46 g/mol. Its IUPAC name is tert-butyl 2-[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]-5-methyl-3-oxo-2,5,8-triazaspiro[3.5]nonane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]-5-methyl-3-oxo-2,5,8-triazaspiro[3.5]nonane-8-carboxylate
PubChem CID134241870
Molecular FormulaC15H26N4O4S
Molecular Weight358.46 g/mol
Exact Mass358.17
IUPAC Nametert-butyl 2-[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]-5-methyl-3-oxo-2,5,8-triazaspiro[3.5]nonane-8-carboxylate
SMILESCN1CCN(C(=O)OC(C)(C)C)CC12CN([C@@H](CS)C(N)=O)C2=O
InChIInChI=1S/C15H26N4O4S/c1-14(2,3)23-13(22)18-6-5-17(4)15(8-18)9-19(12(15)21)10(7-24)11(16)20/h10,24H,5-9H2,1-4H3,(H2,16,20)/t10-,15?/m0/s1
InChIKeyGVSRKGCJSDXOTL-MYHCZTBNSA-N
XLogP-0.47
TPSA96.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze tert-butyl 2-[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]-5-methyl-3-oxo-2,5,8-triazaspiro[3.5]nonane-8-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 5-acetyl-2-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-oxo-2,5,8-triazaspiro[3.5]nonane-8-carboxylate
CID 134241865
2-(3-oxo-2-azaspiro[3.5]nonan-2-yl)-3-sulfanylpropanamide
CID 134244860
ditert-butyl 6-hydroxy-6-methyl-1,4-diazepane-1,4-dicarboxylate
CID 89456794
tert-butyl 1-ethyl-4-oxo-1,9-diazaspiro[4.5]decane-9-carboxylate
CID 165464013
tert-butyl 4-(2-aminoethyl)piperazine-1-carboxylate;hydrochloride
CID 134159111
tert-butyl 2-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-hydroxy-5-(2-methylpropanoyl)-2,5,8-triazaspiro[3.5]nonane-8-carboxylate
CID 134241877
tert-butyl 4-(2-methoxyethyl)-3,3-dimethylpiperazine-1-carboxylate
CID 118704567
tert-butyl 2-[(2S)-1,3-dibutoxy-1-oxopropan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
CID 121308582
tert-butyl 4-[(2R)-2-aminopropanoyl]piperazine-1-carboxylate
CID 28505550
tert-butyl 4-[(Z)-1-aminoprop-1-en-2-yl]piperazine-1-carboxylate;ethane
CID 123541126
tert-butyl 3-fluoro-3-(fluoromethyl)pyrrolidine-1-carboxylate
CID 171704383
tert-butyl (3S)-3-amino-3-(hydroxymethyl)piperidine-1-carboxylate
CID 96892899

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]-5-methyl-3-oxo-2,5,8-triazaspiro[3.5]nonane-8-carboxylate?
The IUPAC name of tert-butyl 2-[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]-5-methyl-3-oxo-2,5,8-triazaspiro[3.5]nonane-8-carboxylate (CID 134241870) is tert-butyl 2-[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]-5-methyl-3-oxo-2,5,8-triazaspiro[3.5]nonane-8-carboxylate.
What is the SMILES notation for tert-butyl 2-[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]-5-methyl-3-oxo-2,5,8-triazaspiro[3.5]nonane-8-carboxylate?
The canonical SMILES for tert-butyl 2-[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]-5-methyl-3-oxo-2,5,8-triazaspiro[3.5]nonane-8-carboxylate is CN1CCN(C(=O)OC(C)(C)C)CC12CN([C@@H](CS)C(N)=O)C2=O.
What is the InChIKey of tert-butyl 2-[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]-5-methyl-3-oxo-2,5,8-triazaspiro[3.5]nonane-8-carboxylate?
The InChIKey is GVSRKGCJSDXOTL-MYHCZTBNSA-N. The full InChI is InChI=1S/C15H26N4O4S/c1-14(2,3)23-13(22)18-6-5-17(4)15(8-18)9-19(12(15)21)10(7-24)11(16)20/h10,24H,5-9H2,1-4H3,(H2,16,20)/t10-,15?/m0/s1.
What are the key properties of tert-butyl 2-[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]-5-methyl-3-oxo-2,5,8-triazaspiro[3.5]nonane-8-carboxylate?
tert-butyl 2-[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]-5-methyl-3-oxo-2,5,8-triazaspiro[3.5]nonane-8-carboxylate has a molecular weight of 358.46 g/mol, XLogP of -0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]-5-methyl-3-oxo-2,5,8-triazaspiro[3.5]nonane-8-carboxylate is sourced from PubChem (CID 134241870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).