(8R)-8-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-15-oxa-6-azaspiro[4.11]hexadec-10-ene-7,14-dione

C21H32N2O5 — CID 6608207

IUPAC(8R)-8-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-15-oxa-6-azaspiro[4.11]hexadec-10-ene-7,14-dione
SMILESO=C1CCC=CC[C@H](CC(=O)N2CCC[C@H]2CO)C(=O)NC2(CCCC2)CO1
InChIInChI=1S/C21H32N2O5/c24-14-17-8-6-12-23(17)18(25)13-16-7-2-1-3-9-19(26)28-15-21(22-20(16)27)10-4-5-11-21/h1-2,16-17,24H,3-15H2,(H,22,27)/t16-,17+/m1/s1
InChIKeyDIMPCMFAAXGDAR-SJORKVTESA-N
MW392.50 g/mol
LogP1.69
Rot. Bonds3

About (8R)-8-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-15-oxa-6-azaspiro[4.11]hexadec-10-ene-7,14-dione

(8R)-8-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-15-oxa-6-azaspiro[4.11]hexadec-10-ene-7,14-dione (PubChem CID 6608207) has the molecular formula C21H32N2O5 and a molecular weight of 392.50 g/mol. Its IUPAC name is (8R)-8-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-15-oxa-6-azaspiro[4.11]hexadec-10-ene-7,14-dione.

Molecular Properties

Compound Name(8R)-8-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-15-oxa-6-azaspiro[4.11]hexadec-10-ene-7,14-dione
PubChem CID6608207
Molecular FormulaC21H32N2O5
Molecular Weight392.50 g/mol
Exact Mass392.23
IUPAC Name(8R)-8-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-15-oxa-6-azaspiro[4.11]hexadec-10-ene-7,14-dione
SMILESO=C1CCC=CC[C@H](CC(=O)N2CCC[C@H]2CO)C(=O)NC2(CCCC2)CO1
InChIInChI=1S/C21H32N2O5/c24-14-17-8-6-12-23(17)18(25)13-16-7-2-1-3-9-19(26)28-15-21(22-20(16)27)10-4-5-11-21/h1-2,16-17,24H,3-15H2,(H,22,27)/t16-,17+/m1/s1
InChIKeyDIMPCMFAAXGDAR-SJORKVTESA-N
XLogP1.69
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

8-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-17-oxa-6-azaspiro[4.13]octadec-10-ene-7,16-dione
CID 5224778
(3S,6R)-6-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-phenyl-1-oxa-4-azacyclododec-8-ene-5,12-dione
CID 6607947
benzyl N-[(8R,13R)-8-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-7,14-dioxo-15-oxa-6-azaspiro[4.11]hexadec-10-en-13-yl]carbamate
CID 6608209
3-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-10-oxa-1-azabicyclo[10.3.0]pentadec-5-ene-2,9-dione
CID 3515481
(3S,6R)-6-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-propan-2-yl-1-oxa-4-azacyclotridec-8-ene-5,13-dione
CID 6608765
(3S,6R)-6-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-phenyl-1-oxa-4-azacyclotetradec-8-ene-5,14-dione
CID 6609351
N-benzyl-2-(7,14-dioxo-15-oxa-6-azaspiro[4.11]hexadec-10-en-8-yl)-N-(2-hydroxyethyl)acetamide
CID 5141852
3-benzyl-6-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1-oxa-4-azacyclotridec-8-ene-5,13-dione
CID 5175862
6-[2-[3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-3,3-dimethyl-1-oxa-4-azacyclododec-8-ene-5,12-dione
CID 4066114
2-[(8R)-7,16-dioxo-17-oxa-6-azaspiro[4.13]octadec-10-en-8-yl]-N-[(2S)-1-hydroxypropan-2-yl]acetamide
CID 6609473
N-benzyl-2-[(8R)-7,16-dioxo-17-oxa-6-azaspiro[4.13]octadec-10-en-8-yl]-N-(2-hydroxyethyl)acetamide
CID 6609485
6-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-N-naphthalen-2-yl-5,13-dioxo-1-oxa-4-azacyclotridec-8-ene-3-carboxamide
CID 4687231

Frequently Asked Questions

What is the IUPAC name of (8R)-8-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-15-oxa-6-azaspiro[4.11]hexadec-10-ene-7,14-dione?
The IUPAC name of (8R)-8-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-15-oxa-6-azaspiro[4.11]hexadec-10-ene-7,14-dione (CID 6608207) is (8R)-8-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-15-oxa-6-azaspiro[4.11]hexadec-10-ene-7,14-dione.
What is the SMILES notation for (8R)-8-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-15-oxa-6-azaspiro[4.11]hexadec-10-ene-7,14-dione?
The canonical SMILES for (8R)-8-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-15-oxa-6-azaspiro[4.11]hexadec-10-ene-7,14-dione is O=C1CCC=CC[C@H](CC(=O)N2CCC[C@H]2CO)C(=O)NC2(CCCC2)CO1.
What is the InChIKey of (8R)-8-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-15-oxa-6-azaspiro[4.11]hexadec-10-ene-7,14-dione?
The InChIKey is DIMPCMFAAXGDAR-SJORKVTESA-N. The full InChI is InChI=1S/C21H32N2O5/c24-14-17-8-6-12-23(17)18(25)13-16-7-2-1-3-9-19(26)28-15-21(22-20(16)27)10-4-5-11-21/h1-2,16-17,24H,3-15H2,(H,22,27)/t16-,17+/m1/s1.
What are the key properties of (8R)-8-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-15-oxa-6-azaspiro[4.11]hexadec-10-ene-7,14-dione?
(8R)-8-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-15-oxa-6-azaspiro[4.11]hexadec-10-ene-7,14-dione has a molecular weight of 392.50 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-15-oxa-6-azaspiro[4.11]hexadec-10-ene-7,14-dione is sourced from PubChem (CID 6608207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).