tert-butyl 2-[(5R)-7-(2-amino-2-oxoethyl)-6-oxo-1,7-diazaspiro[4.4]nonane-1-carbonyl]pyrrolidine-1-carboxylate

C19H30N4O5 — CID 10250034

IUPACtert-butyl 2-[(5R)-7-(2-amino-2-oxoethyl)-6-oxo-1,7-diazaspiro[4.4]nonane-1-carbonyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1C(=O)N1CCC[C@]12CCN(CC(N)=O)C2=O
InChIInChI=1S/C19H30N4O5/c1-18(2,3)28-17(27)22-9-4-6-13(22)15(25)23-10-5-7-19(23)8-11-21(16(19)26)12-14(20)24/h13H,4-12H2,1-3H3,(H2,20,24)/t13?,19-/m1/s1
InChIKeyXYFNBLPBJUYRHI-GAGCMDECSA-N
MW394.47 g/mol
LogP0.46
Rot. Bonds3

About tert-butyl 2-[(5R)-7-(2-amino-2-oxoethyl)-6-oxo-1,7-diazaspiro[4.4]nonane-1-carbonyl]pyrrolidine-1-carboxylate

tert-butyl 2-[(5R)-7-(2-amino-2-oxoethyl)-6-oxo-1,7-diazaspiro[4.4]nonane-1-carbonyl]pyrrolidine-1-carboxylate (PubChem CID 10250034) has the molecular formula C19H30N4O5 and a molecular weight of 394.47 g/mol. Its IUPAC name is tert-butyl 2-[(5R)-7-(2-amino-2-oxoethyl)-6-oxo-1,7-diazaspiro[4.4]nonane-1-carbonyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(5R)-7-(2-amino-2-oxoethyl)-6-oxo-1,7-diazaspiro[4.4]nonane-1-carbonyl]pyrrolidine-1-carboxylate
PubChem CID10250034
Molecular FormulaC19H30N4O5
Molecular Weight394.47 g/mol
Exact Mass394.22
IUPAC Nametert-butyl 2-[(5R)-7-(2-amino-2-oxoethyl)-6-oxo-1,7-diazaspiro[4.4]nonane-1-carbonyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1C(=O)N1CCC[C@]12CCN(CC(N)=O)C2=O
InChIInChI=1S/C19H30N4O5/c1-18(2,3)28-17(27)22-9-4-6-13(22)15(25)23-10-5-7-19(23)8-11-21(16(19)26)12-14(20)24/h13H,4-12H2,1-3H3,(H2,20,24)/t13?,19-/m1/s1
InChIKeyXYFNBLPBJUYRHI-GAGCMDECSA-N
XLogP0.46
TPSA113.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 2-[(5R)-7-(2-amino-2-oxoethyl)-6-oxo-1,7-diazaspiro[4.4]nonane-1-carbonyl]pyrrolidine-1-carboxylate with MolForge

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Related Compounds

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CID 11224769
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CID 24805629
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tert-butyl (2S)-2-(azepane-1-carbonyl)pyrrolidine-1-carboxylate
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1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;propane
CID 144591642
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tert-butyl 2-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidine-1-carboxylate
CID 110624369
1-O-tert-butyl 2-O-[(E)-4-[4-[(E)-4-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]oxybut-2-enyl]-2,5-dioxopiperazin-1-yl]but-2-enyl] (2S)-pyrrolidine-1,2-dicarboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(5R)-7-(2-amino-2-oxoethyl)-6-oxo-1,7-diazaspiro[4.4]nonane-1-carbonyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[(5R)-7-(2-amino-2-oxoethyl)-6-oxo-1,7-diazaspiro[4.4]nonane-1-carbonyl]pyrrolidine-1-carboxylate (CID 10250034) is tert-butyl 2-[(5R)-7-(2-amino-2-oxoethyl)-6-oxo-1,7-diazaspiro[4.4]nonane-1-carbonyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[(5R)-7-(2-amino-2-oxoethyl)-6-oxo-1,7-diazaspiro[4.4]nonane-1-carbonyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[(5R)-7-(2-amino-2-oxoethyl)-6-oxo-1,7-diazaspiro[4.4]nonane-1-carbonyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC1C(=O)N1CCC[C@]12CCN(CC(N)=O)C2=O.
What is the InChIKey of tert-butyl 2-[(5R)-7-(2-amino-2-oxoethyl)-6-oxo-1,7-diazaspiro[4.4]nonane-1-carbonyl]pyrrolidine-1-carboxylate?
The InChIKey is XYFNBLPBJUYRHI-GAGCMDECSA-N. The full InChI is InChI=1S/C19H30N4O5/c1-18(2,3)28-17(27)22-9-4-6-13(22)15(25)23-10-5-7-19(23)8-11-21(16(19)26)12-14(20)24/h13H,4-12H2,1-3H3,(H2,20,24)/t13?,19-/m1/s1.
What are the key properties of tert-butyl 2-[(5R)-7-(2-amino-2-oxoethyl)-6-oxo-1,7-diazaspiro[4.4]nonane-1-carbonyl]pyrrolidine-1-carboxylate?
tert-butyl 2-[(5R)-7-(2-amino-2-oxoethyl)-6-oxo-1,7-diazaspiro[4.4]nonane-1-carbonyl]pyrrolidine-1-carboxylate has a molecular weight of 394.47 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(5R)-7-(2-amino-2-oxoethyl)-6-oxo-1,7-diazaspiro[4.4]nonane-1-carbonyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 10250034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).