ethyl 2-[(8'-hydroxy-6'-oxospiro[cyclohexane-1,5'-indolizine]-7'-carbonyl)amino]acetate

C18H22N2O5 — CID 146400999

IUPACethyl 2-[(8'-hydroxy-6'-oxospiro[cyclohexane-1,5'-indolizine]-7'-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)C1=C(O)c2cccn2C2(CCCCC2)C1=O
InChIInChI=1S/C18H22N2O5/c1-2-25-13(21)11-19-17(24)14-15(22)12-7-6-10-20(12)18(16(14)23)8-4-3-5-9-18/h6-7,10,22H,2-5,8-9,11H2,1H3,(H,19,24)
InChIKeyCPLGRNVBGVZVBP-UHFFFAOYSA-N
MW346.38 g/mol
LogP1.68
Rot. Bonds4

About ethyl 2-[(8'-hydroxy-6'-oxospiro[cyclohexane-1,5'-indolizine]-7'-carbonyl)amino]acetate

ethyl 2-[(8'-hydroxy-6'-oxospiro[cyclohexane-1,5'-indolizine]-7'-carbonyl)amino]acetate (PubChem CID 146400999) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is ethyl 2-[(8'-hydroxy-6'-oxospiro[cyclohexane-1,5'-indolizine]-7'-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(8'-hydroxy-6'-oxospiro[cyclohexane-1,5'-indolizine]-7'-carbonyl)amino]acetate
PubChem CID146400999
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Nameethyl 2-[(8'-hydroxy-6'-oxospiro[cyclohexane-1,5'-indolizine]-7'-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)C1=C(O)c2cccn2C2(CCCCC2)C1=O
InChIInChI=1S/C18H22N2O5/c1-2-25-13(21)11-19-17(24)14-15(22)12-7-6-10-20(12)18(16(14)23)8-4-3-5-9-18/h6-7,10,22H,2-5,8-9,11H2,1H3,(H,19,24)
InChIKeyCPLGRNVBGVZVBP-UHFFFAOYSA-N
XLogP1.68
TPSA97.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[(1-phenylcyclohexyl)amino]acetate
CID 97355903
methyl 2'-cyclopropyl-8'-hydroxy-6'-oxospiro[cyclohexane-1,5'-indolizine]-7'-carboxylate
CID 146401027
ethyl 2-(naphthalene-2-carbonylamino)acetate
CID 43007593
ethyl 2-[(4-cyclohexylbenzoyl)amino]acetate
CID 60547206
(2-ethoxy-2-oxoethyl) 2-benzamidoacetate
CID 134093202
7'-acetyl-3'-tert-butyl-8'-hydroxyspiro[cyclopentane-1,5'-indolizine]-6'-one
CID 146812994
ethyl 2-(indolizine-2-carbonylamino)acetate
CID 46845554
ethyl 2-[(3-amino-2-methylbenzoyl)amino]acetate
CID 60812497
ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4056517
ethyl 2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]acetate
CID 83316807
ethyl 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 46544273
ethyl 2-[(1-piperidin-1-ium-1-ylcyclohexyl)methylcarbamoylamino]acetate
CID 7991963

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(8'-hydroxy-6'-oxospiro[cyclohexane-1,5'-indolizine]-7'-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[(8'-hydroxy-6'-oxospiro[cyclohexane-1,5'-indolizine]-7'-carbonyl)amino]acetate (CID 146400999) is ethyl 2-[(8'-hydroxy-6'-oxospiro[cyclohexane-1,5'-indolizine]-7'-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(8'-hydroxy-6'-oxospiro[cyclohexane-1,5'-indolizine]-7'-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[(8'-hydroxy-6'-oxospiro[cyclohexane-1,5'-indolizine]-7'-carbonyl)amino]acetate is CCOC(=O)CNC(=O)C1=C(O)c2cccn2C2(CCCCC2)C1=O.
What is the InChIKey of ethyl 2-[(8'-hydroxy-6'-oxospiro[cyclohexane-1,5'-indolizine]-7'-carbonyl)amino]acetate?
The InChIKey is CPLGRNVBGVZVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5/c1-2-25-13(21)11-19-17(24)14-15(22)12-7-6-10-20(12)18(16(14)23)8-4-3-5-9-18/h6-7,10,22H,2-5,8-9,11H2,1H3,(H,19,24).
What are the key properties of ethyl 2-[(8'-hydroxy-6'-oxospiro[cyclohexane-1,5'-indolizine]-7'-carbonyl)amino]acetate?
ethyl 2-[(8'-hydroxy-6'-oxospiro[cyclohexane-1,5'-indolizine]-7'-carbonyl)amino]acetate has a molecular weight of 346.38 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(8'-hydroxy-6'-oxospiro[cyclohexane-1,5'-indolizine]-7'-carbonyl)amino]acetate is sourced from PubChem (CID 146400999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).