benzyl N-[(3R)-3-hydroxy-1-[6-methyl-3-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamate

C25H34N4O6 — CID 135178474

IUPACbenzyl N-[(3R)-3-hydroxy-1-[6-methyl-3-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamate
SMILESCC1CCC2(CN(CC(=O)N3CCCC3)C2=O)N1C(=O)C(NC(=O)OCc1ccccc1)[C@@H](C)O
InChIInChI=1S/C25H34N4O6/c1-17-10-11-25(16-28(23(25)33)14-20(31)27-12-6-7-13-27)29(17)22(32)21(18(2)30)26-24(34)35-15-19-8-4-3-5-9-19/h3-5,8-9,17-18,21,30H,6-7,10-16H2,1-2H3,(H,26,34)/t17?,18-,21?,25?/m1/s1
InChIKeyFJJBIHHNICMLLD-NJVDZVTESA-N
MW486.57 g/mol
LogP0.88
Rot. Bonds7

About benzyl N-[(3R)-3-hydroxy-1-[6-methyl-3-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamate

benzyl N-[(3R)-3-hydroxy-1-[6-methyl-3-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamate (PubChem CID 135178474) has the molecular formula C25H34N4O6 and a molecular weight of 486.57 g/mol. Its IUPAC name is benzyl N-[(3R)-3-hydroxy-1-[6-methyl-3-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(3R)-3-hydroxy-1-[6-methyl-3-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamate
PubChem CID135178474
Molecular FormulaC25H34N4O6
Molecular Weight486.57 g/mol
Exact Mass486.25
IUPAC Namebenzyl N-[(3R)-3-hydroxy-1-[6-methyl-3-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamate
SMILESCC1CCC2(CN(CC(=O)N3CCCC3)C2=O)N1C(=O)C(NC(=O)OCc1ccccc1)[C@@H](C)O
InChIInChI=1S/C25H34N4O6/c1-17-10-11-25(16-28(23(25)33)14-20(31)27-12-6-7-13-27)29(17)22(32)21(18(2)30)26-24(34)35-15-19-8-4-3-5-9-19/h3-5,8-9,17-18,21,30H,6-7,10-16H2,1-2H3,(H,26,34)/t17?,18-,21?,25?/m1/s1
InChIKeyFJJBIHHNICMLLD-NJVDZVTESA-N
XLogP0.88
TPSA119.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze benzyl N-[(3R)-3-hydroxy-1-[6-methyl-3-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamate with MolForge

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Related Compounds

[3-hydroxy-1-[6-methyl-3-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamic acid
CID 135146413
benzyl (4S,5R)-2,2,5-trimethyl-4-[6-methyl-3-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)-2,5-diazaspiro[3.4]octane-5-carbonyl]-1,3-oxazolidine-3-carboxylate
CID 118593148
benzyl N-[(2S,3S)-3-methyl-1-oxo-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pentan-2-yl]carbamate
CID 55937257
benzyl N-[(2S,3R)-1-[(2R)-2-carbamoylpyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamate
CID 56845611
(2-oxo-2-piperidin-1-ylethyl) 3-methyl-2-(phenylmethoxycarbonylamino)butanoate
CID 2999218
benzyl 2-[(4-methoxyphenyl)methyl]-6-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
CID 90320075
benzyl N-[(2S,3R)-1-[(3S)-3-[(2S)-2-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamate
CID 118687271
benzyl N-[(2S)-1-oxo-1-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]propan-2-yl]carbamate
CID 18157233
benzyl N-[(2R)-1-[2-[(1R)-1-hydroxy-2-methylpropyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 67947010
benzyl N-[1-hydroxy-1-(1-oxidopyridin-1-ium-4-yl)-3-oxo-3-pyrrolidin-1-ylpropan-2-yl]carbamate
CID 68959389
benzyl N-(1-piperidin-1-yl-1-sulfanylidenepropan-2-yl)carbamate
CID 22592468
4-oxo-3-(phenylmethoxycarbonylamino)-4-pyrrolidin-1-ylbutanoic acid
CID 156690866

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3R)-3-hydroxy-1-[6-methyl-3-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamate?
The IUPAC name of benzyl N-[(3R)-3-hydroxy-1-[6-methyl-3-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamate (CID 135178474) is benzyl N-[(3R)-3-hydroxy-1-[6-methyl-3-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(3R)-3-hydroxy-1-[6-methyl-3-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(3R)-3-hydroxy-1-[6-methyl-3-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamate is CC1CCC2(CN(CC(=O)N3CCCC3)C2=O)N1C(=O)C(NC(=O)OCc1ccccc1)[C@@H](C)O.
What is the InChIKey of benzyl N-[(3R)-3-hydroxy-1-[6-methyl-3-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamate?
The InChIKey is FJJBIHHNICMLLD-NJVDZVTESA-N. The full InChI is InChI=1S/C25H34N4O6/c1-17-10-11-25(16-28(23(25)33)14-20(31)27-12-6-7-13-27)29(17)22(32)21(18(2)30)26-24(34)35-15-19-8-4-3-5-9-19/h3-5,8-9,17-18,21,30H,6-7,10-16H2,1-2H3,(H,26,34)/t17?,18-,21?,25?/m1/s1.
What are the key properties of benzyl N-[(3R)-3-hydroxy-1-[6-methyl-3-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamate?
benzyl N-[(3R)-3-hydroxy-1-[6-methyl-3-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamate has a molecular weight of 486.57 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(3R)-3-hydroxy-1-[6-methyl-3-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)-2,5-diazaspiro[3.4]octan-5-yl]-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 135178474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).