(8S)-7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carbaldehyde

C9H14N2O4 — CID 143359862

IUPAC(8S)-7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carbaldehyde
SMILESNCC(=O)N1CC2(C[C@H]1C=O)OCCO2
InChIInChI=1S/C9H14N2O4/c10-4-8(13)11-6-9(3-7(11)5-12)14-1-2-15-9/h5,7H,1-4,6,10H2/t7-/m0/s1
InChIKeyLPPPXHSRBCYZEN-ZETCQYMHSA-N
MW214.22 g/mol
LogP-1.51
Rot. Bonds2

About (8S)-7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carbaldehyde

(8S)-7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carbaldehyde (PubChem CID 143359862) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is (8S)-7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carbaldehyde.

Molecular Properties

Compound Name(8S)-7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carbaldehyde
PubChem CID143359862
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name(8S)-7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carbaldehyde
SMILESNCC(=O)N1CC2(C[C@H]1C=O)OCCO2
InChIInChI=1S/C9H14N2O4/c10-4-8(13)11-6-9(3-7(11)5-12)14-1-2-15-9/h5,7H,1-4,6,10H2/t7-/m0/s1
InChIKeyLPPPXHSRBCYZEN-ZETCQYMHSA-N
XLogP-1.51
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-1.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (8S)-7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carbaldehyde?
The IUPAC name of (8S)-7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carbaldehyde (CID 143359862) is (8S)-7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carbaldehyde.
What is the SMILES notation for (8S)-7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carbaldehyde?
The canonical SMILES for (8S)-7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carbaldehyde is NCC(=O)N1CC2(C[C@H]1C=O)OCCO2.
What is the InChIKey of (8S)-7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carbaldehyde?
The InChIKey is LPPPXHSRBCYZEN-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H14N2O4/c10-4-8(13)11-6-9(3-7(11)5-12)14-1-2-15-9/h5,7H,1-4,6,10H2/t7-/m0/s1.
What are the key properties of (8S)-7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carbaldehyde?
(8S)-7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carbaldehyde has a molecular weight of 214.22 g/mol, XLogP of -1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carbaldehyde is sourced from PubChem (CID 143359862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).