ethyl 2-[(3S,4S)-3-methyl-2-oxo-1-azaspiro[4.5]decan-4-yl]acetate

C14H23NO3 — CID 101000541

IUPACethyl 2-[(3S,4S)-3-methyl-2-oxo-1-azaspiro[4.5]decan-4-yl]acetate
SMILESCCOC(=O)C[C@H]1[C@H](C)C(=O)NC12CCCCC2
InChIInChI=1S/C14H23NO3/c1-3-18-12(16)9-11-10(2)13(17)15-14(11)7-5-4-6-8-14/h10-11H,3-9H2,1-2H3,(H,15,17)/t10-,11-/m0/s1
InChIKeyHMQOFLAWLNTRDA-QWRGUYRKSA-N
MW253.34 g/mol
LogP2.02
Rot. Bonds3

About ethyl 2-[(3S,4S)-3-methyl-2-oxo-1-azaspiro[4.5]decan-4-yl]acetate

ethyl 2-[(3S,4S)-3-methyl-2-oxo-1-azaspiro[4.5]decan-4-yl]acetate (PubChem CID 101000541) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is ethyl 2-[(3S,4S)-3-methyl-2-oxo-1-azaspiro[4.5]decan-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(3S,4S)-3-methyl-2-oxo-1-azaspiro[4.5]decan-4-yl]acetate
PubChem CID101000541
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Nameethyl 2-[(3S,4S)-3-methyl-2-oxo-1-azaspiro[4.5]decan-4-yl]acetate
SMILESCCOC(=O)C[C@H]1[C@H](C)C(=O)NC12CCCCC2
InChIInChI=1S/C14H23NO3/c1-3-18-12(16)9-11-10(2)13(17)15-14(11)7-5-4-6-8-14/h10-11H,3-9H2,1-2H3,(H,15,17)/t10-,11-/m0/s1
InChIKeyHMQOFLAWLNTRDA-QWRGUYRKSA-N
XLogP2.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[(3S,4S)-3-methyl-2-oxo-1-azaspiro[4.5]decan-4-yl]acetate with MolForge

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Related Compounds

4-cyclobutyl-3-methyl-1-azaspiro[4.5]decan-2-one
CID 165467518
ethyl acetate;ethyl 2-cyclohexylacetate
CID 66912131
ethyl 2-(4,4-dimethylcyclohexyl)acetate
CID 23001036
ethyl 2-(3-oxaspiro[5.5]undecan-4-yl)acetate
CID 134907720
ethyl 2-(1,4-dioxospiro[4.5]decan-10-yl)acetate
CID 101195037
ethyl 2-(7-oxospiro[3.5]nonan-2-yl)acetate
CID 142578322
ethyl 2-(1-oxaspiro[4.5]decan-8-yl)acetate
CID 69067707
ethyl 2-[(3S)-5-oxopyrrolidin-3-yl]acetate
CID 98007144
ethyl 2-[(1S)-2,2-difluorocyclohexyl]acetate
CID 95170239
ethyl 2-[(3S,5S)-5-methylsulfonyl-2-oxopyrrolidin-3-yl]acetate
CID 57249466
ethyl 2-[(2R,4aS,8aR)-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl]acetate
CID 7298248
ethyl 2-[(1R,3S)-3-(2-ethoxy-2-oxoethyl)cyclohexyl]acetate
CID 58358703

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3S,4S)-3-methyl-2-oxo-1-azaspiro[4.5]decan-4-yl]acetate?
The IUPAC name of ethyl 2-[(3S,4S)-3-methyl-2-oxo-1-azaspiro[4.5]decan-4-yl]acetate (CID 101000541) is ethyl 2-[(3S,4S)-3-methyl-2-oxo-1-azaspiro[4.5]decan-4-yl]acetate.
What is the SMILES notation for ethyl 2-[(3S,4S)-3-methyl-2-oxo-1-azaspiro[4.5]decan-4-yl]acetate?
The canonical SMILES for ethyl 2-[(3S,4S)-3-methyl-2-oxo-1-azaspiro[4.5]decan-4-yl]acetate is CCOC(=O)C[C@H]1[C@H](C)C(=O)NC12CCCCC2.
What is the InChIKey of ethyl 2-[(3S,4S)-3-methyl-2-oxo-1-azaspiro[4.5]decan-4-yl]acetate?
The InChIKey is HMQOFLAWLNTRDA-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H23NO3/c1-3-18-12(16)9-11-10(2)13(17)15-14(11)7-5-4-6-8-14/h10-11H,3-9H2,1-2H3,(H,15,17)/t10-,11-/m0/s1.
What are the key properties of ethyl 2-[(3S,4S)-3-methyl-2-oxo-1-azaspiro[4.5]decan-4-yl]acetate?
ethyl 2-[(3S,4S)-3-methyl-2-oxo-1-azaspiro[4.5]decan-4-yl]acetate has a molecular weight of 253.34 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3S,4S)-3-methyl-2-oxo-1-azaspiro[4.5]decan-4-yl]acetate is sourced from PubChem (CID 101000541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).