(9S)-9-amino-1-oxa-7-azaspiro[4.4]nonane-7-carboxylic acid

C8H14N2O3 — CID 66787032

IUPAC(9S)-9-amino-1-oxa-7-azaspiro[4.4]nonane-7-carboxylic acid
SMILESN[C@H]1CN(C(=O)O)CC12CCCO2
InChIInChI=1S/C8H14N2O3/c9-6-4-10(7(11)12)5-8(6)2-1-3-13-8/h6H,1-5,9H2,(H,11,12)/t6-,8?/m0/s1
InChIKeyIQIDSAITEDWDHO-UUEFVBAFSA-N
MW186.21 g/mol
LogP-0.14
Rot. Bonds

About (9S)-9-amino-1-oxa-7-azaspiro[4.4]nonane-7-carboxylic acid

(9S)-9-amino-1-oxa-7-azaspiro[4.4]nonane-7-carboxylic acid (PubChem CID 66787032) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is (9S)-9-amino-1-oxa-7-azaspiro[4.4]nonane-7-carboxylic acid.

Molecular Properties

Compound Name(9S)-9-amino-1-oxa-7-azaspiro[4.4]nonane-7-carboxylic acid
PubChem CID66787032
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name(9S)-9-amino-1-oxa-7-azaspiro[4.4]nonane-7-carboxylic acid
SMILESN[C@H]1CN(C(=O)O)CC12CCCO2
InChIInChI=1S/C8H14N2O3/c9-6-4-10(7(11)12)5-8(6)2-1-3-13-8/h6H,1-5,9H2,(H,11,12)/t6-,8?/m0/s1
InChIKeyIQIDSAITEDWDHO-UUEFVBAFSA-N
XLogP-0.14
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Tert-butyl 3-amino-1-oxa-7-azaspiro(4.4)nonane-7-carboxylate
CID 71305967
tert-butyl (9S)-9-amino-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate
CID 59556046
[(3R)-1-(7-oxabicyclo[2.2.1]heptan-1-ylmethyl)pyrrolidin-3-yl]carbamic acid
CID 68700059
(9S)-9-(tert-butylamino)-1-oxa-7-azaspiro[4.4]nonane-7-carboxylic acid
CID 68767617
tert-Butyl (4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl)carbamate
CID 146349608
tert-butyl (2S,3aR,6aS)-3-amino-2-ethyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole-1-carboxylate
CID 169899563
1-Oxa-7-azaspiro[4.4]nonane-7-carboxylic acid, 9-amino-, 1,1-dimethylethyl ester, (9S)-
CID 72325506
Tert-butyl 3-[(2-methyloxolan-2-yl)methylamino]pyrrolidine-1-carboxylate
CID 81462628
Tert-butyl 3-[1-(oxolan-2-yl)ethylamino]pyrrolidine-1-carboxylate
CID 81651165
tert-butyl (5S,9S)-9-amino-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate
CID 97305346
tert-butyl (5R,9S)-9-amino-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate
CID 97305347
tert-Butyl 4-amino-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate
CID 121229869

Frequently Asked Questions

What is the IUPAC name of (9S)-9-amino-1-oxa-7-azaspiro[4.4]nonane-7-carboxylic acid?
The IUPAC name of (9S)-9-amino-1-oxa-7-azaspiro[4.4]nonane-7-carboxylic acid (CID 66787032) is (9S)-9-amino-1-oxa-7-azaspiro[4.4]nonane-7-carboxylic acid.
What is the SMILES notation for (9S)-9-amino-1-oxa-7-azaspiro[4.4]nonane-7-carboxylic acid?
The canonical SMILES for (9S)-9-amino-1-oxa-7-azaspiro[4.4]nonane-7-carboxylic acid is N[C@H]1CN(C(=O)O)CC12CCCO2.
What is the InChIKey of (9S)-9-amino-1-oxa-7-azaspiro[4.4]nonane-7-carboxylic acid?
The InChIKey is IQIDSAITEDWDHO-UUEFVBAFSA-N. The full InChI is InChI=1S/C8H14N2O3/c9-6-4-10(7(11)12)5-8(6)2-1-3-13-8/h6H,1-5,9H2,(H,11,12)/t6-,8?/m0/s1.
What are the key properties of (9S)-9-amino-1-oxa-7-azaspiro[4.4]nonane-7-carboxylic acid?
(9S)-9-amino-1-oxa-7-azaspiro[4.4]nonane-7-carboxylic acid has a molecular weight of 186.21 g/mol, XLogP of -0.14, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9S)-9-amino-1-oxa-7-azaspiro[4.4]nonane-7-carboxylic acid is sourced from PubChem (CID 66787032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).