benzyl 3-(2,4-dioxo-1-oxa-3,9-diazaspiro[5.5]undecan-3-yl)propanoate

C18H22N2O5 — CID 59311938

IUPACbenzyl 3-(2,4-dioxo-1-oxa-3,9-diazaspiro[5.5]undecan-3-yl)propanoate
SMILESO=C(CCN1C(=O)CC2(CCNCC2)OC1=O)OCc1ccccc1
InChIInChI=1S/C18H22N2O5/c21-15-12-18(7-9-19-10-8-18)25-17(23)20(15)11-6-16(22)24-13-14-4-2-1-3-5-14/h1-5,19H,6-13H2
InChIKeyWDJIGIKQHFURDG-UHFFFAOYSA-N
MW346.38 g/mol
LogP1.61
Rot. Bonds5

About benzyl 3-(2,4-dioxo-1-oxa-3,9-diazaspiro[5.5]undecan-3-yl)propanoate

benzyl 3-(2,4-dioxo-1-oxa-3,9-diazaspiro[5.5]undecan-3-yl)propanoate (PubChem CID 59311938) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is benzyl 3-(2,4-dioxo-1-oxa-3,9-diazaspiro[5.5]undecan-3-yl)propanoate.

Molecular Properties

Compound Namebenzyl 3-(2,4-dioxo-1-oxa-3,9-diazaspiro[5.5]undecan-3-yl)propanoate
PubChem CID59311938
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Namebenzyl 3-(2,4-dioxo-1-oxa-3,9-diazaspiro[5.5]undecan-3-yl)propanoate
SMILESO=C(CCN1C(=O)CC2(CCNCC2)OC1=O)OCc1ccccc1
InChIInChI=1S/C18H22N2O5/c21-15-12-18(7-9-19-10-8-18)25-17(23)20(15)11-6-16(22)24-13-14-4-2-1-3-5-14/h1-5,19H,6-13H2
InChIKeyWDJIGIKQHFURDG-UHFFFAOYSA-N
XLogP1.61
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Benzyl 3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
CID 16069982
3-Allyl 1-benzyl 3-methyl-2-oxopiperidine-1,3-dicarboxylate
CID 53495096
benzyl N-[(1S,6R)-6-[(2-methylpropan-2-yl)oxycarbonylcarbamoyl]cyclohex-3-en-1-yl]carbamate
CID 58806048
Tert-butyl 3-oxo-5-(phenylmethoxycarbonylamino)pentanoate
CID 118865449
9-Benzyl 4-(tert-butyl) 1,4,9-triazaspiro[5.5]undecane-4,9-dicarboxylate
CID 124248932
Phenylmethyl 5-[[(1,1-dimethylethoxy)carbonyl]amino]-3-oxopentanoate
CID 134841069
6-benzyl 4a-ethyl (4aS*,8aR*)-hexahydro-1,6-naphthyridine-4a,6(2H,5H)-dicarboxylate
CID 56894986
tert-butyl (3S)-6-[methyl-(2,2,2-trifluoroacetyl)amino]-3-(phenylmethoxycarbonylamino)hexanoate
CID 10961281
tert-butyl 4-[3-oxo-3-[(3R)-3-[[(2S)-2-[[4-(trifluoromethyl)phenyl]methoxycarbonyl]but-3-ynyl]carbamoyl]piperidin-1-yl]propyl]piperidine-1-carboxylate
CID 18734821
(S)-3-t-butoxycarbonylamino-4-(3,3-difluoro-2,6-dioxo-piperidin-1-yl)-butyric acid benzyl ester
CID 68516265
Benzyl 4-(3,3-difluoro-2,6-dioxopiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 68516268
tert-Butyl ({1-[(4-benzyloxycarbonyltetrahydro-2H-pyran-4-yl)methyl]-4-fluoropiperidin-4-yl}methyl)carbamate
CID 86602124

Frequently Asked Questions

What is the IUPAC name of benzyl 3-(2,4-dioxo-1-oxa-3,9-diazaspiro[5.5]undecan-3-yl)propanoate?
The IUPAC name of benzyl 3-(2,4-dioxo-1-oxa-3,9-diazaspiro[5.5]undecan-3-yl)propanoate (CID 59311938) is benzyl 3-(2,4-dioxo-1-oxa-3,9-diazaspiro[5.5]undecan-3-yl)propanoate.
What is the SMILES notation for benzyl 3-(2,4-dioxo-1-oxa-3,9-diazaspiro[5.5]undecan-3-yl)propanoate?
The canonical SMILES for benzyl 3-(2,4-dioxo-1-oxa-3,9-diazaspiro[5.5]undecan-3-yl)propanoate is O=C(CCN1C(=O)CC2(CCNCC2)OC1=O)OCc1ccccc1.
What is the InChIKey of benzyl 3-(2,4-dioxo-1-oxa-3,9-diazaspiro[5.5]undecan-3-yl)propanoate?
The InChIKey is WDJIGIKQHFURDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5/c21-15-12-18(7-9-19-10-8-18)25-17(23)20(15)11-6-16(22)24-13-14-4-2-1-3-5-14/h1-5,19H,6-13H2.
What are the key properties of benzyl 3-(2,4-dioxo-1-oxa-3,9-diazaspiro[5.5]undecan-3-yl)propanoate?
benzyl 3-(2,4-dioxo-1-oxa-3,9-diazaspiro[5.5]undecan-3-yl)propanoate has a molecular weight of 346.38 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-(2,4-dioxo-1-oxa-3,9-diazaspiro[5.5]undecan-3-yl)propanoate is sourced from PubChem (CID 59311938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).