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

C9H14N2O5 — CID 170295806

IUPAC7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid
SMILESNCC(=O)N1CC2(CC1C(=O)O)OCCO2
InChIInChI=1S/C9H14N2O5/c10-4-7(12)11-5-9(15-1-2-16-9)3-6(11)8(13)14/h6H,1-5,10H2,(H,13,14)
InChIKeyFNJBEVKANKEFJF-UHFFFAOYSA-N
MW230.22 g/mol
LogP-1.63
Rot. Bonds2

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

7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid (PubChem CID 170295806) has the molecular formula C9H14N2O5 and a molecular weight of 230.22 g/mol. Its IUPAC name is 7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid.

Molecular Properties

Compound Name7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid
PubChem CID170295806
Molecular FormulaC9H14N2O5
Molecular Weight230.22 g/mol
Exact Mass230.09
IUPAC Name7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid
SMILESNCC(=O)N1CC2(CC1C(=O)O)OCCO2
InChIInChI=1S/C9H14N2O5/c10-4-7(12)11-5-9(15-1-2-16-9)3-6(11)8(13)14/h6H,1-5,10H2,(H,13,14)
InChIKeyFNJBEVKANKEFJF-UHFFFAOYSA-N
XLogP-1.63
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-1.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid?
The IUPAC name of 7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid (CID 170295806) is 7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid.
What is the SMILES notation for 7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid?
The canonical SMILES for 7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid is NCC(=O)N1CC2(CC1C(=O)O)OCCO2.
What is the InChIKey of 7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid?
The InChIKey is FNJBEVKANKEFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O5/c10-4-7(12)11-5-9(15-1-2-16-9)3-6(11)8(13)14/h6H,1-5,10H2,(H,13,14).
What are the key properties of 7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid?
7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid has a molecular weight of 230.22 g/mol, XLogP of -1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid is sourced from PubChem (CID 170295806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).