benzyl (2S)-2-[(4R)-5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]propanoate

C20H26N2O4 — CID 156702889

IUPACbenzyl (2S)-2-[(4R)-5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]propanoate
SMILESCC(C)C(=O)N1CCC[C@]12CN([C@@H](C)C(=O)OCc1ccccc1)C2=O
InChIInChI=1S/C20H26N2O4/c1-14(2)17(23)22-11-7-10-20(22)13-21(19(20)25)15(3)18(24)26-12-16-8-5-4-6-9-16/h4-6,8-9,14-15H,7,10-13H2,1-3H3/t15-,20+/m0/s1
InChIKeyWOVFWLLEWJACEK-MGPUTAFESA-N
MW358.44 g/mol
LogP1.98
Rot. Bonds5

About benzyl (2S)-2-[(4R)-5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]propanoate

benzyl (2S)-2-[(4R)-5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]propanoate (PubChem CID 156702889) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is benzyl (2S)-2-[(4R)-5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]propanoate.

Molecular Properties

Compound Namebenzyl (2S)-2-[(4R)-5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]propanoate
PubChem CID156702889
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Namebenzyl (2S)-2-[(4R)-5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]propanoate
SMILESCC(C)C(=O)N1CCC[C@]12CN([C@@H](C)C(=O)OCc1ccccc1)C2=O
InChIInChI=1S/C20H26N2O4/c1-14(2)17(23)22-11-7-10-20(22)13-21(19(20)25)15(3)18(24)26-12-16-8-5-4-6-9-16/h4-6,8-9,14-15H,7,10-13H2,1-3H3/t15-,20+/m0/s1
InChIKeyWOVFWLLEWJACEK-MGPUTAFESA-N
XLogP1.98
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze benzyl (2S)-2-[(4R)-5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]propanoate 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

benzyl 7-[(2S)-1-methoxy-1-oxopropan-2-yl]-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate
CID 54125624
[3-hydroxy-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanoyl]azanium
CID 148619155
benzyl 2-propan-2-yl-2,5-diazaspiro[3.4]octane-5-carboxylate
CID 126752953
(2R)-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl]-3-sulfanylpropanamide
CID 171080838
(2R)-2-benzyl-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 159272717
benzyl 2-(3-amino-2-oxoazocan-1-yl)propanoate
CID 23322536
benzyl 2-(3,4-dihydro-2H-quinolin-1-yl)propanoate
CID 139697216
benzyl 2-(4-oxopiperidin-1-yl)propanoate
CID 82342726
benzyl (2R)-1-[(5R)-1-(2-methylprop-2-enoyl)-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]-2-propan-2-ylcyclopropane-1-carboxylate
CID 163552987
benzyl 2-[2-[[(2S,3R)-3-acetyloxy-1-amino-1-oxobutan-2-yl]amino]-2-oxoethyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
CID 90330257
2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl]acetamide
CID 171080897
benzyl 2-(9-azabicyclo[3.3.1]nonan-9-yl)propanoate
CID 174258999

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-[(4R)-5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]propanoate?
The IUPAC name of benzyl (2S)-2-[(4R)-5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]propanoate (CID 156702889) is benzyl (2S)-2-[(4R)-5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]propanoate.
What is the SMILES notation for benzyl (2S)-2-[(4R)-5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]propanoate?
The canonical SMILES for benzyl (2S)-2-[(4R)-5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]propanoate is CC(C)C(=O)N1CCC[C@]12CN([C@@H](C)C(=O)OCc1ccccc1)C2=O.
What is the InChIKey of benzyl (2S)-2-[(4R)-5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]propanoate?
The InChIKey is WOVFWLLEWJACEK-MGPUTAFESA-N. The full InChI is InChI=1S/C20H26N2O4/c1-14(2)17(23)22-11-7-10-20(22)13-21(19(20)25)15(3)18(24)26-12-16-8-5-4-6-9-16/h4-6,8-9,14-15H,7,10-13H2,1-3H3/t15-,20+/m0/s1.
What are the key properties of benzyl (2S)-2-[(4R)-5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]propanoate?
benzyl (2S)-2-[(4R)-5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]propanoate has a molecular weight of 358.44 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-[(4R)-5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]propanoate is sourced from PubChem (CID 156702889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).