methyl (2S)-2-(4,7-diazaspiro[2.5]octan-7-yl)-3-naphthalen-2-ylpropanoate

C20H24N2O2 — CID 134591477

IUPACmethyl (2S)-2-(4,7-diazaspiro[2.5]octan-7-yl)-3-naphthalen-2-ylpropanoate
SMILESCOC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCNC2(CC2)C1
InChIInChI=1S/C20H24N2O2/c1-24-19(23)18(22-11-10-21-20(14-22)8-9-20)13-15-6-7-16-4-2-3-5-17(16)12-15/h2-7,12,18,21H,8-11,13-14H2,1H3/t18-/m0/s1
InChIKeyVPEUOYYRDGEHDS-SFHVURJKSA-N
MW324.42 g/mol
LogP2.36
Rot. Bonds4

About methyl (2S)-2-(4,7-diazaspiro[2.5]octan-7-yl)-3-naphthalen-2-ylpropanoate

methyl (2S)-2-(4,7-diazaspiro[2.5]octan-7-yl)-3-naphthalen-2-ylpropanoate (PubChem CID 134591477) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is methyl (2S)-2-(4,7-diazaspiro[2.5]octan-7-yl)-3-naphthalen-2-ylpropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-(4,7-diazaspiro[2.5]octan-7-yl)-3-naphthalen-2-ylpropanoate
PubChem CID134591477
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Namemethyl (2S)-2-(4,7-diazaspiro[2.5]octan-7-yl)-3-naphthalen-2-ylpropanoate
SMILESCOC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCNC2(CC2)C1
InChIInChI=1S/C20H24N2O2/c1-24-19(23)18(22-11-10-21-20(14-22)8-9-20)13-15-6-7-16-4-2-3-5-17(16)12-15/h2-7,12,18,21H,8-11,13-14H2,1H3/t18-/m0/s1
InChIKeyVPEUOYYRDGEHDS-SFHVURJKSA-N
XLogP2.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (2S)-2-(4,7-diazaspiro[2.5]octan-7-yl)-3-naphthalen-2-ylpropanoate with MolForge

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Related Compounds

methyl (2S)-2-[(3S)-3-methyl-2-oxopiperazin-1-yl]-3-naphthalen-2-ylpropanoate
CID 25132165
methyl (2S)-2-[(3S)-3-ethyl-2-oxopiperazin-1-yl]-3-naphthalen-2-ylpropanoate
CID 25132166
methyl (2S)-3-naphthalen-2-yl-2-(propan-2-ylamino)propanoate
CID 126517010
methyl 2-[[(1-aminocyclohexanecarbonyl)amino]methyl]-3-naphthalen-2-ylpropanoate
CID 119325168
methyl 3-amino-2-hydroxy-4-naphthalen-2-ylbutanoate
CID 154647583
(2R)-2-bromo-3-naphthalen-2-ylpropanoic acid;methane;methanol;methyl (2R)-2-bromo-3-naphthalen-2-ylpropanoate
CID 160827622
methyl 3-phenyl-2-pyrrolidin-1-ylpropanoate
CID 20833938
methyl (2R)-2-(2,5-dihydropyrrol-1-yl)-3-phenylpropanoate
CID 135574815
methyl 3-[[4-(naphthalen-2-ylmethoxy)phenyl]sulfonylamino]-2-piperidin-1-ylpropanoate
CID 67494924
2-[3-(cyclopropylmethyl)piperazin-1-yl]-N-methyl-3-naphthalen-2-ylpropanamide
CID 141087632
methyl (2R)-2-isocyanato-3-naphthalen-2-ylpropanoate
CID 147583826
methyl (2R)-2-(4-hydroxybutanoylamino)-3-naphthalen-2-ylpropanoate
CID 170714861

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(4,7-diazaspiro[2.5]octan-7-yl)-3-naphthalen-2-ylpropanoate?
The IUPAC name of methyl (2S)-2-(4,7-diazaspiro[2.5]octan-7-yl)-3-naphthalen-2-ylpropanoate (CID 134591477) is methyl (2S)-2-(4,7-diazaspiro[2.5]octan-7-yl)-3-naphthalen-2-ylpropanoate.
What is the SMILES notation for methyl (2S)-2-(4,7-diazaspiro[2.5]octan-7-yl)-3-naphthalen-2-ylpropanoate?
The canonical SMILES for methyl (2S)-2-(4,7-diazaspiro[2.5]octan-7-yl)-3-naphthalen-2-ylpropanoate is COC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCNC2(CC2)C1.
What is the InChIKey of methyl (2S)-2-(4,7-diazaspiro[2.5]octan-7-yl)-3-naphthalen-2-ylpropanoate?
The InChIKey is VPEUOYYRDGEHDS-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-24-19(23)18(22-11-10-21-20(14-22)8-9-20)13-15-6-7-16-4-2-3-5-17(16)12-15/h2-7,12,18,21H,8-11,13-14H2,1H3/t18-/m0/s1.
What are the key properties of methyl (2S)-2-(4,7-diazaspiro[2.5]octan-7-yl)-3-naphthalen-2-ylpropanoate?
methyl (2S)-2-(4,7-diazaspiro[2.5]octan-7-yl)-3-naphthalen-2-ylpropanoate has a molecular weight of 324.42 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(4,7-diazaspiro[2.5]octan-7-yl)-3-naphthalen-2-ylpropanoate is sourced from PubChem (CID 134591477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).