[(2S,3R)-3-hydroxy-1-oxo-1-(3-oxo-2,5-diazaspiro[3.4]octan-5-yl)-5-phenylpentan-2-yl] carbamate

C18H23N3O5 — CID 118589850

IUPAC[(2S,3R)-3-hydroxy-1-oxo-1-(3-oxo-2,5-diazaspiro[3.4]octan-5-yl)-5-phenylpentan-2-yl] carbamate
SMILESNC(=O)O[C@H](C(=O)N1CCCC12CNC2=O)[C@H](O)CCc1ccccc1
InChIInChI=1S/C18H23N3O5/c19-17(25)26-14(13(22)8-7-12-5-2-1-3-6-12)15(23)21-10-4-9-18(21)11-20-16(18)24/h1-3,5-6,13-14,22H,4,7-11H2,(H2,19,25)(H,20,24)/t13-,14+,18?/m1/s1
InChIKeyAWMOFSWVBYVNPI-RMAOKOMNSA-N
MW361.40 g/mol
LogP-0.06
Rot. Bonds6

About [(2S,3R)-3-hydroxy-1-oxo-1-(3-oxo-2,5-diazaspiro[3.4]octan-5-yl)-5-phenylpentan-2-yl] carbamate

[(2S,3R)-3-hydroxy-1-oxo-1-(3-oxo-2,5-diazaspiro[3.4]octan-5-yl)-5-phenylpentan-2-yl] carbamate (PubChem CID 118589850) has the molecular formula C18H23N3O5 and a molecular weight of 361.40 g/mol. Its IUPAC name is [(2S,3R)-3-hydroxy-1-oxo-1-(3-oxo-2,5-diazaspiro[3.4]octan-5-yl)-5-phenylpentan-2-yl] carbamate.

Molecular Properties

Compound Name[(2S,3R)-3-hydroxy-1-oxo-1-(3-oxo-2,5-diazaspiro[3.4]octan-5-yl)-5-phenylpentan-2-yl] carbamate
PubChem CID118589850
Molecular FormulaC18H23N3O5
Molecular Weight361.40 g/mol
Exact Mass361.16
IUPAC Name[(2S,3R)-3-hydroxy-1-oxo-1-(3-oxo-2,5-diazaspiro[3.4]octan-5-yl)-5-phenylpentan-2-yl] carbamate
SMILESNC(=O)O[C@H](C(=O)N1CCCC12CNC2=O)[C@H](O)CCc1ccccc1
InChIInChI=1S/C18H23N3O5/c19-17(25)26-14(13(22)8-7-12-5-2-1-3-6-12)15(23)21-10-4-9-18(21)11-20-16(18)24/h1-3,5-6,13-14,22H,4,7-11H2,(H2,19,25)(H,20,24)/t13-,14+,18?/m1/s1
InChIKeyAWMOFSWVBYVNPI-RMAOKOMNSA-N
XLogP-0.06
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [(2S,3R)-3-hydroxy-1-oxo-1-(3-oxo-2,5-diazaspiro[3.4]octan-5-yl)-5-phenylpentan-2-yl] carbamate with MolForge

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Related Compounds

[3-hydroxy-1-[1-methyl-3-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)-2,5-diazaspiro[3.4]octan-5-yl]-1-oxo-5-phenylpentan-2-yl] carbamate
CID 118589866
4-[(2R)-2-hydroxy-4-phenylbutanoyl]piperazine-1-carboxamide
CID 173259120
1,3-diphenylpropyl carbamate
CID 154100927
benzyl (2S)-2-[(4R)-5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]propanoate
CID 156702889
benzyl 6-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
CID 90319910
1-(1H-imidazole-5-carbonyl)-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162633803
2-hydroxy-1-morpholin-4-yl-4-phenylbutan-1-one
CID 76792666
(2S)-2-amino-1-(3,3-dimethylpiperidin-1-yl)-4-phenylbutan-1-one
CID 104984439
benzyl N-[1-[(2R)-1-carbamoyl-2-methylpyrrolidin-2-yl]-2-hydroxy-4-phenylbutyl]-N-[(2S)-2,4-diamino-4-oxobutanoyl]carbamate
CID 57139440
(2-hydroxy-4-phenylbutyl) carbamate
CID 67337427
benzyl (4R)-spiro[2,3-dihydro-1H-quinoline-4,2'-pyrrolidine]-1'-carboxylate
CID 125421522
(2R)-2-benzyl-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 159272717

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-3-hydroxy-1-oxo-1-(3-oxo-2,5-diazaspiro[3.4]octan-5-yl)-5-phenylpentan-2-yl] carbamate?
The IUPAC name of [(2S,3R)-3-hydroxy-1-oxo-1-(3-oxo-2,5-diazaspiro[3.4]octan-5-yl)-5-phenylpentan-2-yl] carbamate (CID 118589850) is [(2S,3R)-3-hydroxy-1-oxo-1-(3-oxo-2,5-diazaspiro[3.4]octan-5-yl)-5-phenylpentan-2-yl] carbamate.
What is the SMILES notation for [(2S,3R)-3-hydroxy-1-oxo-1-(3-oxo-2,5-diazaspiro[3.4]octan-5-yl)-5-phenylpentan-2-yl] carbamate?
The canonical SMILES for [(2S,3R)-3-hydroxy-1-oxo-1-(3-oxo-2,5-diazaspiro[3.4]octan-5-yl)-5-phenylpentan-2-yl] carbamate is NC(=O)O[C@H](C(=O)N1CCCC12CNC2=O)[C@H](O)CCc1ccccc1.
What is the InChIKey of [(2S,3R)-3-hydroxy-1-oxo-1-(3-oxo-2,5-diazaspiro[3.4]octan-5-yl)-5-phenylpentan-2-yl] carbamate?
The InChIKey is AWMOFSWVBYVNPI-RMAOKOMNSA-N. The full InChI is InChI=1S/C18H23N3O5/c19-17(25)26-14(13(22)8-7-12-5-2-1-3-6-12)15(23)21-10-4-9-18(21)11-20-16(18)24/h1-3,5-6,13-14,22H,4,7-11H2,(H2,19,25)(H,20,24)/t13-,14+,18?/m1/s1.
What are the key properties of [(2S,3R)-3-hydroxy-1-oxo-1-(3-oxo-2,5-diazaspiro[3.4]octan-5-yl)-5-phenylpentan-2-yl] carbamate?
[(2S,3R)-3-hydroxy-1-oxo-1-(3-oxo-2,5-diazaspiro[3.4]octan-5-yl)-5-phenylpentan-2-yl] carbamate has a molecular weight of 361.40 g/mol, XLogP of -0.06, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-3-hydroxy-1-oxo-1-(3-oxo-2,5-diazaspiro[3.4]octan-5-yl)-5-phenylpentan-2-yl] carbamate is sourced from PubChem (CID 118589850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).