2-(3-ethoxy-3-oxopropyl)-3-methyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylic acid

C15H24N2O5 — CID 143399230

IUPAC2-(3-ethoxy-3-oxopropyl)-3-methyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylic acid
SMILESCCOC(=O)CCN1C(=O)C2(CCCN(C(=O)O)C2)CC1C
InChIInChI=1S/C15H24N2O5/c1-3-22-12(18)5-8-17-11(2)9-15(13(17)19)6-4-7-16(10-15)14(20)21/h11H,3-10H2,1-2H3,(H,20,21)
InChIKeyDPHJCMSSTKTWDJ-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.32
Rot. Bonds4

About 2-(3-ethoxy-3-oxopropyl)-3-methyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylic acid

2-(3-ethoxy-3-oxopropyl)-3-methyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylic acid (PubChem CID 143399230) has the molecular formula C15H24N2O5 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-(3-ethoxy-3-oxopropyl)-3-methyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylic acid.

Molecular Properties

Compound Name2-(3-ethoxy-3-oxopropyl)-3-methyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylic acid
PubChem CID143399230
Molecular FormulaC15H24N2O5
Molecular Weight312.37 g/mol
Exact Mass312.17
IUPAC Name2-(3-ethoxy-3-oxopropyl)-3-methyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylic acid
SMILESCCOC(=O)CCN1C(=O)C2(CCCN(C(=O)O)C2)CC1C
InChIInChI=1S/C15H24N2O5/c1-3-22-12(18)5-8-17-11(2)9-15(13(17)19)6-4-7-16(10-15)14(20)21/h11H,3-10H2,1-2H3,(H,20,21)
InChIKeyDPHJCMSSTKTWDJ-UHFFFAOYSA-N
XLogP1.32
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-3-oxopropyl)-3-methyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylic acid?
The IUPAC name of 2-(3-ethoxy-3-oxopropyl)-3-methyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylic acid (CID 143399230) is 2-(3-ethoxy-3-oxopropyl)-3-methyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylic acid.
What is the SMILES notation for 2-(3-ethoxy-3-oxopropyl)-3-methyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylic acid?
The canonical SMILES for 2-(3-ethoxy-3-oxopropyl)-3-methyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylic acid is CCOC(=O)CCN1C(=O)C2(CCCN(C(=O)O)C2)CC1C.
What is the InChIKey of 2-(3-ethoxy-3-oxopropyl)-3-methyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylic acid?
The InChIKey is DPHJCMSSTKTWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5/c1-3-22-12(18)5-8-17-11(2)9-15(13(17)19)6-4-7-16(10-15)14(20)21/h11H,3-10H2,1-2H3,(H,20,21).
What are the key properties of 2-(3-ethoxy-3-oxopropyl)-3-methyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylic acid?
2-(3-ethoxy-3-oxopropyl)-3-methyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylic acid has a molecular weight of 312.37 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-3-oxopropyl)-3-methyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylic acid is sourced from PubChem (CID 143399230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).