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

C9H15N3O4 — CID 170294096

IUPAC(8S)-7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxamide
SMILESNCC(=O)N1CC2(C[C@H]1C(N)=O)OCCO2
InChIInChI=1S/C9H15N3O4/c10-4-7(13)12-5-9(15-1-2-16-9)3-6(12)8(11)14/h6H,1-5,10H2,(H2,11,14)/t6-/m0/s1
InChIKeyOIDWLBLZSMJJIQ-LURJTMIESA-N
MW229.24 g/mol
LogP-2.23
Rot. Bonds2

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

(8S)-7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxamide (PubChem CID 170294096) has the molecular formula C9H15N3O4 and a molecular weight of 229.24 g/mol. Its IUPAC name is (8S)-7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxamide.

Molecular Properties

Compound Name(8S)-7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxamide
PubChem CID170294096
Molecular FormulaC9H15N3O4
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC Name(8S)-7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxamide
SMILESNCC(=O)N1CC2(C[C@H]1C(N)=O)OCCO2
InChIInChI=1S/C9H15N3O4/c10-4-7(13)12-5-9(15-1-2-16-9)3-6(12)8(11)14/h6H,1-5,10H2,(H2,11,14)/t6-/m0/s1
InChIKeyOIDWLBLZSMJJIQ-LURJTMIESA-N
XLogP-2.23
TPSA107.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 5-2.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

L-alanyl-4,4-ethylenedioxy-L-proline
CID 54182480
(8S)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxamide
CID 68084900
1,4-Dioxa-7-azaspiro[4.4]nonane-8-carboxamide
CID 77404616
2-methylpropyl N-[2-[(8S)-8-formyl-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-2-oxoethyl]carbamate
CID 88270326
methyl N-[(2S)-1-[(8S)-8-formyl-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 90385570
methyl N-[1-(8-formyl-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3-methyl-1-oxobutan-2-yl]carbamate
CID 123478452
(8S)-7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carbaldehyde
CID 143359862
(8S)-7-propanoyl-1,4-dioxa-7-azaspiro[4.4]nonane-8-carbaldehyde
CID 147304752
methyl (8S)-7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate
CID 169197829
Ethane;methyl 7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate
CID 169198147
7-(2-Aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid
CID 170295806
methyl (8S)-7-(2-formamidoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate
CID 170296969

Frequently Asked Questions

What is the IUPAC name of (8S)-7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxamide?
The IUPAC name of (8S)-7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxamide (CID 170294096) is (8S)-7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxamide.
What is the SMILES notation for (8S)-7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxamide?
The canonical SMILES for (8S)-7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxamide is NCC(=O)N1CC2(C[C@H]1C(N)=O)OCCO2.
What is the InChIKey of (8S)-7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxamide?
The InChIKey is OIDWLBLZSMJJIQ-LURJTMIESA-N. The full InChI is InChI=1S/C9H15N3O4/c10-4-7(13)12-5-9(15-1-2-16-9)3-6(12)8(11)14/h6H,1-5,10H2,(H2,11,14)/t6-/m0/s1.
What are the key properties of (8S)-7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxamide?
(8S)-7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxamide has a molecular weight of 229.24 g/mol, XLogP of -2.23, 2 rotatable bonds, 2 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-carboxamide is sourced from PubChem (CID 170294096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).