benzyl (5S)-2-(1-methoxy-1-oxopropan-2-yl)-1-oxa-2,6-diazaspiro[4.4]nonane-4-carboxylate

C18H24N2O5 — CID 56636731

IUPACbenzyl (5S)-2-(1-methoxy-1-oxopropan-2-yl)-1-oxa-2,6-diazaspiro[4.4]nonane-4-carboxylate
SMILESCOC(=O)C(C)N1CC(C(=O)OCc2ccccc2)[C@]2(CCCN2)O1
InChIInChI=1S/C18H24N2O5/c1-13(16(21)23-2)20-11-15(18(25-20)9-6-10-19-18)17(22)24-12-14-7-4-3-5-8-14/h3-5,7-8,13,15,19H,6,9-12H2,1-2H3/t13?,15?,18-/m0/s1
InChIKeyWTRVNHCTRJGWCH-RWKZGTHUSA-N
MW348.40 g/mol
LogP1.23
Rot. Bonds5

About benzyl (5S)-2-(1-methoxy-1-oxopropan-2-yl)-1-oxa-2,6-diazaspiro[4.4]nonane-4-carboxylate

benzyl (5S)-2-(1-methoxy-1-oxopropan-2-yl)-1-oxa-2,6-diazaspiro[4.4]nonane-4-carboxylate (PubChem CID 56636731) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is benzyl (5S)-2-(1-methoxy-1-oxopropan-2-yl)-1-oxa-2,6-diazaspiro[4.4]nonane-4-carboxylate.

Molecular Properties

Compound Namebenzyl (5S)-2-(1-methoxy-1-oxopropan-2-yl)-1-oxa-2,6-diazaspiro[4.4]nonane-4-carboxylate
PubChem CID56636731
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Namebenzyl (5S)-2-(1-methoxy-1-oxopropan-2-yl)-1-oxa-2,6-diazaspiro[4.4]nonane-4-carboxylate
SMILESCOC(=O)C(C)N1CC(C(=O)OCc2ccccc2)[C@]2(CCCN2)O1
InChIInChI=1S/C18H24N2O5/c1-13(16(21)23-2)20-11-15(18(25-20)9-6-10-19-18)17(22)24-12-14-7-4-3-5-8-14/h3-5,7-8,13,15,19H,6,9-12H2,1-2H3/t13?,15?,18-/m0/s1
InChIKeyWTRVNHCTRJGWCH-RWKZGTHUSA-N
XLogP1.23
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze benzyl (5S)-2-(1-methoxy-1-oxopropan-2-yl)-1-oxa-2,6-diazaspiro[4.4]nonane-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of benzyl (5S)-2-(1-methoxy-1-oxopropan-2-yl)-1-oxa-2,6-diazaspiro[4.4]nonane-4-carboxylate?
The IUPAC name of benzyl (5S)-2-(1-methoxy-1-oxopropan-2-yl)-1-oxa-2,6-diazaspiro[4.4]nonane-4-carboxylate (CID 56636731) is benzyl (5S)-2-(1-methoxy-1-oxopropan-2-yl)-1-oxa-2,6-diazaspiro[4.4]nonane-4-carboxylate.
What is the SMILES notation for benzyl (5S)-2-(1-methoxy-1-oxopropan-2-yl)-1-oxa-2,6-diazaspiro[4.4]nonane-4-carboxylate?
The canonical SMILES for benzyl (5S)-2-(1-methoxy-1-oxopropan-2-yl)-1-oxa-2,6-diazaspiro[4.4]nonane-4-carboxylate is COC(=O)C(C)N1CC(C(=O)OCc2ccccc2)[C@]2(CCCN2)O1.
What is the InChIKey of benzyl (5S)-2-(1-methoxy-1-oxopropan-2-yl)-1-oxa-2,6-diazaspiro[4.4]nonane-4-carboxylate?
The InChIKey is WTRVNHCTRJGWCH-RWKZGTHUSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-13(16(21)23-2)20-11-15(18(25-20)9-6-10-19-18)17(22)24-12-14-7-4-3-5-8-14/h3-5,7-8,13,15,19H,6,9-12H2,1-2H3/t13?,15?,18-/m0/s1.
What are the key properties of benzyl (5S)-2-(1-methoxy-1-oxopropan-2-yl)-1-oxa-2,6-diazaspiro[4.4]nonane-4-carboxylate?
benzyl (5S)-2-(1-methoxy-1-oxopropan-2-yl)-1-oxa-2,6-diazaspiro[4.4]nonane-4-carboxylate has a molecular weight of 348.40 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (5S)-2-(1-methoxy-1-oxopropan-2-yl)-1-oxa-2,6-diazaspiro[4.4]nonane-4-carboxylate is sourced from PubChem (CID 56636731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).