benzyl N-[(6R,7S)-4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl]carbamate

C20H20N2O3 — CID 154598099

IUPACbenzyl N-[(6R,7S)-4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl]carbamate
SMILESO=C(N[C@@H]1[C@@H](c2ccccc2)NC(=O)C12CC2)OCc1ccccc1
InChIInChI=1S/C20H20N2O3/c23-18-20(11-12-20)17(16(21-18)15-9-5-2-6-10-15)22-19(24)25-13-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2,(H,21,23)(H,22,24)/t16-,17-/m1/s1
InChIKeyGNVUXJZJFULWTC-IAGOWNOFSA-N
MW336.39 g/mol
LogP2.93
Rot. Bonds4

About benzyl N-[(6R,7S)-4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl]carbamate

benzyl N-[(6R,7S)-4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl]carbamate (PubChem CID 154598099) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is benzyl N-[(6R,7S)-4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(6R,7S)-4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl]carbamate
PubChem CID154598099
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Namebenzyl N-[(6R,7S)-4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl]carbamate
SMILESO=C(N[C@@H]1[C@@H](c2ccccc2)NC(=O)C12CC2)OCc1ccccc1
InChIInChI=1S/C20H20N2O3/c23-18-20(11-12-20)17(16(21-18)15-9-5-2-6-10-15)22-19(24)25-13-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2,(H,21,23)(H,22,24)/t16-,17-/m1/s1
InChIKeyGNVUXJZJFULWTC-IAGOWNOFSA-N
XLogP2.93
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze benzyl N-[(6R,7S)-4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl]carbamate 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 N-(4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl)carbamate
CID 154983246
benzyl N-(2-phenylpiperidin-3-yl)carbamate
CID 21197254
benzyl N-[(1S)-4-oxo-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 68602701
benzyl N-(4-amino-4-methylcyclohexyl)carbamate
CID 168763188
benzyl N-[(1S)-2-oxocyclohexyl]carbamate
CID 14219049
benzyl N-(2-phenylcyclopropyl)carbamate
CID 12682022
(7S)-7-amino-6-phenyl-5-azaspiro[2.4]heptan-4-one
CID 154993875
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
benzyl N-(1-oxaspiro[2.5]octan-6-yl)carbamate
CID 15932630
benzyl N-(2-aminospiro[2.5]octan-6-yl)carbamate
CID 130138434
benzyl N-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]carbamate
CID 139248273

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(6R,7S)-4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl]carbamate?
The IUPAC name of benzyl N-[(6R,7S)-4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl]carbamate (CID 154598099) is benzyl N-[(6R,7S)-4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl]carbamate.
What is the SMILES notation for benzyl N-[(6R,7S)-4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl]carbamate?
The canonical SMILES for benzyl N-[(6R,7S)-4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl]carbamate is O=C(N[C@@H]1[C@@H](c2ccccc2)NC(=O)C12CC2)OCc1ccccc1.
What is the InChIKey of benzyl N-[(6R,7S)-4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl]carbamate?
The InChIKey is GNVUXJZJFULWTC-IAGOWNOFSA-N. The full InChI is InChI=1S/C20H20N2O3/c23-18-20(11-12-20)17(16(21-18)15-9-5-2-6-10-15)22-19(24)25-13-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2,(H,21,23)(H,22,24)/t16-,17-/m1/s1.
What are the key properties of benzyl N-[(6R,7S)-4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl]carbamate?
benzyl N-[(6R,7S)-4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl]carbamate has a molecular weight of 336.39 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(6R,7S)-4-oxo-6-phenyl-5-azaspiro[2.4]heptan-7-yl]carbamate is sourced from PubChem (CID 154598099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).